3-cyclohexyliminoprop-1-en-1-one

C9H13NO — CID 134893442

IUPAC3-cyclohexyliminoprop-1-en-1-one
SMILESO=C=C/C=N/C1CCCCC1
InChIInChI=1S/C9H13NO/c11-8-4-7-10-9-5-2-1-3-6-9/h4,7,9H,1-3,5-6H2/b10-7+
InChIKeyPGDODZODUAFJNF-JXMROGBWSA-N
MW151.21 g/mol
LogP1.78
Rot. Bonds2

About 3-cyclohexyliminoprop-1-en-1-one

3-cyclohexyliminoprop-1-en-1-one (PubChem CID 134893442) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-cyclohexyliminoprop-1-en-1-one.

Molecular Properties

Compound Name3-cyclohexyliminoprop-1-en-1-one
PubChem CID134893442
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-cyclohexyliminoprop-1-en-1-one
SMILESO=C=C/C=N/C1CCCCC1
InChIInChI=1S/C9H13NO/c11-8-4-7-10-9-5-2-1-3-6-9/h4,7,9H,1-3,5-6H2/b10-7+
InChIKeyPGDODZODUAFJNF-JXMROGBWSA-N
XLogP1.78
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-cyclohexyliminoprop-1-en-1-one 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-cyclohexyliminoprop-1-en-1-one?
The IUPAC name of 3-cyclohexyliminoprop-1-en-1-one (CID 134893442) is 3-cyclohexyliminoprop-1-en-1-one.
What is the SMILES notation for 3-cyclohexyliminoprop-1-en-1-one?
The canonical SMILES for 3-cyclohexyliminoprop-1-en-1-one is O=C=C/C=N/C1CCCCC1.
What is the InChIKey of 3-cyclohexyliminoprop-1-en-1-one?
The InChIKey is PGDODZODUAFJNF-JXMROGBWSA-N. The full InChI is InChI=1S/C9H13NO/c11-8-4-7-10-9-5-2-1-3-6-9/h4,7,9H,1-3,5-6H2/b10-7+.
What are the key properties of 3-cyclohexyliminoprop-1-en-1-one?
3-cyclohexyliminoprop-1-en-1-one has a molecular weight of 151.21 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyliminoprop-1-en-1-one is sourced from PubChem (CID 134893442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).