3-aminocyclohexene-1-carbonitrile

C7H10N2 — CID 129054691

IUPAC3-aminocyclohexene-1-carbonitrile
SMILESN#CC1=CC(N)CCC1
InChIInChI=1S/C7H10N2/c8-5-6-2-1-3-7(9)4-6/h4,7H,1-3,9H2
InChIKeyZPIAXBYQJQITOI-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.95
Rot. Bonds

About 3-aminocyclohexene-1-carbonitrile

3-aminocyclohexene-1-carbonitrile (PubChem CID 129054691) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 3-aminocyclohexene-1-carbonitrile.

Molecular Properties

Compound Name3-aminocyclohexene-1-carbonitrile
PubChem CID129054691
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name3-aminocyclohexene-1-carbonitrile
SMILESN#CC1=CC(N)CCC1
InChIInChI=1S/C7H10N2/c8-5-6-2-1-3-7(9)4-6/h4,7H,1-3,9H2
InChIKeyZPIAXBYQJQITOI-UHFFFAOYSA-N
XLogP0.95
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-aminocyclohexene-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-aminocyclohexene-1-carbonitrile?
The IUPAC name of 3-aminocyclohexene-1-carbonitrile (CID 129054691) is 3-aminocyclohexene-1-carbonitrile.
What is the SMILES notation for 3-aminocyclohexene-1-carbonitrile?
The canonical SMILES for 3-aminocyclohexene-1-carbonitrile is N#CC1=CC(N)CCC1.
What is the InChIKey of 3-aminocyclohexene-1-carbonitrile?
The InChIKey is ZPIAXBYQJQITOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c8-5-6-2-1-3-7(9)4-6/h4,7H,1-3,9H2.
What are the key properties of 3-aminocyclohexene-1-carbonitrile?
3-aminocyclohexene-1-carbonitrile has a molecular weight of 122.17 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminocyclohexene-1-carbonitrile is sourced from PubChem (CID 129054691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).