3-aminocycloheptene-1-carbonitrile

C8H12N2 — CID 67521603

IUPAC3-aminocycloheptene-1-carbonitrile
SMILESN#CC1=CC(N)CCCC1
InChIInChI=1S/C8H12N2/c9-6-7-3-1-2-4-8(10)5-7/h5,8H,1-4,10H2
InChIKeyVNLXGEJQSWZNNP-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.34
Rot. Bonds

About 3-aminocycloheptene-1-carbonitrile

3-aminocycloheptene-1-carbonitrile (PubChem CID 67521603) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3-aminocycloheptene-1-carbonitrile.

Molecular Properties

Compound Name3-aminocycloheptene-1-carbonitrile
PubChem CID67521603
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3-aminocycloheptene-1-carbonitrile
SMILESN#CC1=CC(N)CCCC1
InChIInChI=1S/C8H12N2/c9-6-7-3-1-2-4-8(10)5-7/h5,8H,1-4,10H2
InChIKeyVNLXGEJQSWZNNP-UHFFFAOYSA-N
XLogP1.34
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-aminocycloheptene-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-aminocycloheptene-1-carbonitrile?
The IUPAC name of 3-aminocycloheptene-1-carbonitrile (CID 67521603) is 3-aminocycloheptene-1-carbonitrile.
What is the SMILES notation for 3-aminocycloheptene-1-carbonitrile?
The canonical SMILES for 3-aminocycloheptene-1-carbonitrile is N#CC1=CC(N)CCCC1.
What is the InChIKey of 3-aminocycloheptene-1-carbonitrile?
The InChIKey is VNLXGEJQSWZNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c9-6-7-3-1-2-4-8(10)5-7/h5,8H,1-4,10H2.
What are the key properties of 3-aminocycloheptene-1-carbonitrile?
3-aminocycloheptene-1-carbonitrile has a molecular weight of 136.20 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminocycloheptene-1-carbonitrile is sourced from PubChem (CID 67521603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).