3-cycloheptyliminoprop-1-en-1-one

C10H15NO — CID 134893482

IUPAC3-cycloheptyliminoprop-1-en-1-one
SMILESO=C=C/C=N/C1CCCCCC1
InChIInChI=1S/C10H15NO/c12-9-5-8-11-10-6-3-1-2-4-7-10/h5,8,10H,1-4,6-7H2/b11-8+
InChIKeyIRFINMRUAXEZIC-DHZHZOJOSA-N
MW165.24 g/mol
LogP2.17
Rot. Bonds2

About 3-cycloheptyliminoprop-1-en-1-one

3-cycloheptyliminoprop-1-en-1-one (PubChem CID 134893482) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-cycloheptyliminoprop-1-en-1-one.

Molecular Properties

Compound Name3-cycloheptyliminoprop-1-en-1-one
PubChem CID134893482
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-cycloheptyliminoprop-1-en-1-one
SMILESO=C=C/C=N/C1CCCCCC1
InChIInChI=1S/C10H15NO/c12-9-5-8-11-10-6-3-1-2-4-7-10/h5,8,10H,1-4,6-7H2/b11-8+
InChIKeyIRFINMRUAXEZIC-DHZHZOJOSA-N
XLogP2.17
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.17
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-cycloheptyliminoprop-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-cycloheptyliminoprop-1-en-1-one?
The IUPAC name of 3-cycloheptyliminoprop-1-en-1-one (CID 134893482) is 3-cycloheptyliminoprop-1-en-1-one.
What is the SMILES notation for 3-cycloheptyliminoprop-1-en-1-one?
The canonical SMILES for 3-cycloheptyliminoprop-1-en-1-one is O=C=C/C=N/C1CCCCCC1.
What is the InChIKey of 3-cycloheptyliminoprop-1-en-1-one?
The InChIKey is IRFINMRUAXEZIC-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H15NO/c12-9-5-8-11-10-6-3-1-2-4-7-10/h5,8,10H,1-4,6-7H2/b11-8+.
What are the key properties of 3-cycloheptyliminoprop-1-en-1-one?
3-cycloheptyliminoprop-1-en-1-one has a molecular weight of 165.24 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cycloheptyliminoprop-1-en-1-one is sourced from PubChem (CID 134893482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).