Description

This entry presents 3-Cyclohexene-1-carbonitrile (C7H9N; CAS 100-45-8; PubChem CID 66013 (https://pubchem.ncbi.nlm.nih.gov/compound/66013)) as a 3D-printable ball-and-stick model in which every atom carries its engraved element symbol (C, H, N), so the model can be read without a colour key. Atomic coordinates come from the PubChem-computed 3D conformer (not an experimental crystal structure); coordinates and connectivity are unchanged. Structure at a glance 17 atoms: 7 C, 9 H, 1 N 17 bonds: 15 single, 1 double, 1 triple One 6-membered ring Functional groups: one nitrile (cyano) group (-C#N) and one carbon-carbon double bond (C=C) One stereocentre; configuration not defined in the source record (no R/S label) — IUPAC name cyclohex-3-ene-1-carbonitrile No hydrogen-bond donors and one acceptor (computed) Fraction of sp3-hybridised (tetrahedral) carbon atoms: 0.57 (computed) Use in teaching Counting task: students tally the engraved symbols (7 C, 9 H, 1 N; 17 atoms) and rebuild the formula C7H9N from the model alone. Stereochemistry: locate the stereocentre; the source record defines no configuration, so the printed conformer should not be read as a specific stereoisomer. Functional groups: find the nitrile (cyano) group (-C#N) and the carbon-carbon double bond (C=C) on the model and name each one. File and printing STL mesh of 199,288 triangles, a closed (watertight) single solid. Coordinates are in ångström and STL stores no unit, so scale the model deliberately in your slicer. Measured bounding box: 5.367 × 4.639 × 5.323 Å; at scale factor 10 (1 Å to 10 mm, file read in millimetres) the print measures about 53.7 × 46.4 × 53.2 mm. SHA-256: 28414317ac2e5e2057168023c8d6b89bc882a8f8a0ad1239d746417e541bffc9. Validation InChIKey identical to the PubChem record (PubChem FTP SDF, file dated 2026-10-08): GYBNBQFUPDFFQX-UHFFFAOYSA-N Molecular formula and hydrogen-bond donor/acceptor counts identical to PubChem Stereocentres in PubChem: 0 defined, 1 undefined; both counts match this record Mesh: triangle count in the header equals the actual count; 0 edges not shared by exactly two triangles; 1 connected solid; SHA-256 equal to the published file Source, licence and identifiers Full record: molgod.org/molecule/100-45-8 (https://molgod.org/molecule/100-45-8/?utm_source=nih3d&utm_medium=referral&utm_campaign=edu-3d-models) · Licence and provenance record: molgod.org/licenses/stl/100-45-8 (https://molgod.org/licenses/stl/100-45-8/) · Same file on Wikimedia Commons: File:3-Cyclohexene-1-carbonitrile-3D-molecular-model-engraved-CAS-100-45-8.stl (https://commons.wikimedia.org/wiki/File:3-Cyclohexene-1-carbonitrile-3D-molecular-model-engraved-CAS-100-45-8.stl) MolGod ID: MG_727-372-064-77 (https://molgod.org/id/MG_727-372-064-77) Wikidata: Q22079568 (https://www.wikidata.org/wiki/Q22079568) EC number: 623-115-3 ChemSpider ID: 21427854 InChIKey: GYBNBQFUPDFFQX-UHFFFAOYSA-N SMILES: C1CC(CC=C1)C#N Molar mass 107.15 g/mol (exact mass 107.073499291) Licence: CC BY-SA 4.0 (licence text (https://creativecommons.org/licenses/by-sa/4.0/)). Required attribution: "3-Cyclohexene-1-carbonitrile 3D model by MolGod.org — https://molgod.org/molecule/100-45-8/ — CC BY-SA 4.0".