2-methyl-3-propyliminocyclopentan-1-one

C9H15NO — CID 7420430

IUPAC2-methyl-3-propyliminocyclopentan-1-one
SMILESCCC/N=C1\CCC(=O)C1C
InChIInChI=1S/C9H15NO/c1-3-6-10-8-4-5-9(11)7(8)2/h7H,3-6H2,1-2H3/b10-8+
InChIKeyQLLBGEGBTQXOQH-CSKARUKUSA-N
MW153.22 g/mol
LogP1.84
Rot. Bonds2

About 2-methyl-3-propyliminocyclopentan-1-one

2-methyl-3-propyliminocyclopentan-1-one (PubChem CID 7420430) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-methyl-3-propyliminocyclopentan-1-one.

Molecular Properties

Compound Name2-methyl-3-propyliminocyclopentan-1-one
PubChem CID7420430
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-methyl-3-propyliminocyclopentan-1-one
SMILESCCC/N=C1\CCC(=O)C1C
InChIInChI=1S/C9H15NO/c1-3-6-10-8-4-5-9(11)7(8)2/h7H,3-6H2,1-2H3/b10-8+
InChIKeyQLLBGEGBTQXOQH-CSKARUKUSA-N
XLogP1.84
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-3-propyliminocyclopentan-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 2-methyl-3-propyliminocyclopentan-1-one?
The IUPAC name of 2-methyl-3-propyliminocyclopentan-1-one (CID 7420430) is 2-methyl-3-propyliminocyclopentan-1-one.
What is the SMILES notation for 2-methyl-3-propyliminocyclopentan-1-one?
The canonical SMILES for 2-methyl-3-propyliminocyclopentan-1-one is CCC/N=C1\CCC(=O)C1C.
What is the InChIKey of 2-methyl-3-propyliminocyclopentan-1-one?
The InChIKey is QLLBGEGBTQXOQH-CSKARUKUSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-6-10-8-4-5-9(11)7(8)2/h7H,3-6H2,1-2H3/b10-8+.
What are the key properties of 2-methyl-3-propyliminocyclopentan-1-one?
2-methyl-3-propyliminocyclopentan-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propyliminocyclopentan-1-one is sourced from PubChem (CID 7420430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).