6-cyclopropylidenecyclohexa-2,4-dien-1-imine

C9H9N — CID 163712967

IUPAC6-cyclopropylidenecyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1=C1CC1
InChIInChI=1S/C9H9N/c10-9-4-2-1-3-8(9)7-5-6-7/h1-4,10H,5-6H2/b10-9+
InChIKeyKKWPQUAQXDRKBV-MDZDMXLPSA-N
MW131.18 g/mol
LogP2.22
Rot. Bonds

About 6-cyclopropylidenecyclohexa-2,4-dien-1-imine

6-cyclopropylidenecyclohexa-2,4-dien-1-imine (PubChem CID 163712967) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is 6-cyclopropylidenecyclohexa-2,4-dien-1-imine.

Molecular Properties

Compound Name6-cyclopropylidenecyclohexa-2,4-dien-1-imine
PubChem CID163712967
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Name6-cyclopropylidenecyclohexa-2,4-dien-1-imine
SMILES[H]/N=C1\C=CC=CC1=C1CC1
InChIInChI=1S/C9H9N/c10-9-4-2-1-3-8(9)7-5-6-7/h1-4,10H,5-6H2/b10-9+
InChIKeyKKWPQUAQXDRKBV-MDZDMXLPSA-N
XLogP2.22
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 6-cyclopropylidenecyclohexa-2,4-dien-1-imine 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 6-cyclopropylidenecyclohexa-2,4-dien-1-imine?
The IUPAC name of 6-cyclopropylidenecyclohexa-2,4-dien-1-imine (CID 163712967) is 6-cyclopropylidenecyclohexa-2,4-dien-1-imine.
What is the SMILES notation for 6-cyclopropylidenecyclohexa-2,4-dien-1-imine?
The canonical SMILES for 6-cyclopropylidenecyclohexa-2,4-dien-1-imine is [H]/N=C1\C=CC=CC1=C1CC1.
What is the InChIKey of 6-cyclopropylidenecyclohexa-2,4-dien-1-imine?
The InChIKey is KKWPQUAQXDRKBV-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H9N/c10-9-4-2-1-3-8(9)7-5-6-7/h1-4,10H,5-6H2/b10-9+.
What are the key properties of 6-cyclopropylidenecyclohexa-2,4-dien-1-imine?
6-cyclopropylidenecyclohexa-2,4-dien-1-imine has a molecular weight of 131.18 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropylidenecyclohexa-2,4-dien-1-imine is sourced from PubChem (CID 163712967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).