2-(cyclohexen-1-yl)spiro[3.5]nonane-2-carbonitrile

C16H23N — CID 116659301

IUPAC2-(cyclohexen-1-yl)spiro[3.5]nonane-2-carbonitrile
SMILESN#CC1(C2=CCCCC2)CC2(CCCCC2)C1
InChIInChI=1S/C16H23N/c17-13-16(14-7-3-1-4-8-14)11-15(12-16)9-5-2-6-10-15/h7H,1-6,8-12H2
InChIKeyWUZFTHZPKRZSTL-UHFFFAOYSA-N
MW229.37 g/mol
LogP4.74
Rot. Bonds1

About 2-(cyclohexen-1-yl)spiro[3.5]nonane-2-carbonitrile

2-(cyclohexen-1-yl)spiro[3.5]nonane-2-carbonitrile (PubChem CID 116659301) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)spiro[3.5]nonane-2-carbonitrile.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)spiro[3.5]nonane-2-carbonitrile
PubChem CID116659301
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name2-(cyclohexen-1-yl)spiro[3.5]nonane-2-carbonitrile
SMILESN#CC1(C2=CCCCC2)CC2(CCCCC2)C1
InChIInChI=1S/C16H23N/c17-13-16(14-7-3-1-4-8-14)11-15(12-16)9-5-2-6-10-15/h7H,1-6,8-12H2
InChIKeyWUZFTHZPKRZSTL-UHFFFAOYSA-N
XLogP4.74
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(cyclohexen-1-yl)piperidine-4-carbonitrile
CID 116659296
1-[2-(cyclohexen-1-yl)spiro[3.6]decan-2-yl]-N-methylmethanamine
CID 116662210
1-(cyclohexen-1-yl)cyclohexan-1-amine
CID 56996461
2-oxo-4,5,6,7,8,9-hexahydro-3H-benzo[7]annulene-4a-carbonitrile
CID 101229953
2-(4-nitrophenyl)spiro[3.6]decane-2-carbonitrile
CID 103193771
N-[[2-(cyclohexen-1-yl)spiro[3.4]octan-2-yl]methyl]propan-2-amine
CID 116662298
2-(2-methylphenyl)spiro[3.5]nonane-2-carbonitrile
CID 65006560
2-(3,4-dimethylphenyl)spiro[3.6]decane-2-carbonitrile
CID 65007551
[1-(cyclohexen-1-yl)cyclohexyl]methanamine
CID 116659372
2-phenylspiro[3.3]heptane-2-carbonitrile
CID 65009327
(1R,5S)-1-(cyclohexen-1-yl)-4-oxobicyclo[3.1.0]hexane-6,6-dicarbonitrile
CID 11746325
[2-(cyclohexen-1-yl)oxan-2-yl]silane
CID 175455485

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)spiro[3.5]nonane-2-carbonitrile?
The IUPAC name of 2-(cyclohexen-1-yl)spiro[3.5]nonane-2-carbonitrile (CID 116659301) is 2-(cyclohexen-1-yl)spiro[3.5]nonane-2-carbonitrile.
What is the SMILES notation for 2-(cyclohexen-1-yl)spiro[3.5]nonane-2-carbonitrile?
The canonical SMILES for 2-(cyclohexen-1-yl)spiro[3.5]nonane-2-carbonitrile is N#CC1(C2=CCCCC2)CC2(CCCCC2)C1.
What is the InChIKey of 2-(cyclohexen-1-yl)spiro[3.5]nonane-2-carbonitrile?
The InChIKey is WUZFTHZPKRZSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c17-13-16(14-7-3-1-4-8-14)11-15(12-16)9-5-2-6-10-15/h7H,1-6,8-12H2.
What are the key properties of 2-(cyclohexen-1-yl)spiro[3.5]nonane-2-carbonitrile?
2-(cyclohexen-1-yl)spiro[3.5]nonane-2-carbonitrile has a molecular weight of 229.37 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)spiro[3.5]nonane-2-carbonitrile is sourced from PubChem (CID 116659301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).