3-methyl-2-(propan-2-ylideneamino)cyclohex-2-en-1-one

C10H15NO — CID 118081521

IUPAC3-methyl-2-(propan-2-ylideneamino)cyclohex-2-en-1-one
SMILESCC(C)=NC1=C(C)CCCC1=O
InChIInChI=1S/C10H15NO/c1-7(2)11-10-8(3)5-4-6-9(10)12/h4-6H2,1-3H3
InChIKeyYHGRUCUUFKWNEP-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.49
Rot. Bonds1

About 3-methyl-2-(propan-2-ylideneamino)cyclohex-2-en-1-one

3-methyl-2-(propan-2-ylideneamino)cyclohex-2-en-1-one (PubChem CID 118081521) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 3-methyl-2-(propan-2-ylideneamino)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-methyl-2-(propan-2-ylideneamino)cyclohex-2-en-1-one
PubChem CID118081521
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name3-methyl-2-(propan-2-ylideneamino)cyclohex-2-en-1-one
SMILESCC(C)=NC1=C(C)CCCC1=O
InChIInChI=1S/C10H15NO/c1-7(2)11-10-8(3)5-4-6-9(10)12/h4-6H2,1-3H3
InChIKeyYHGRUCUUFKWNEP-UHFFFAOYSA-N
XLogP2.49
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-2-(propan-2-ylideneamino)cyclohex-2-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-methyl-2-(propan-2-ylideneamino)cyclohex-2-en-1-one?
The IUPAC name of 3-methyl-2-(propan-2-ylideneamino)cyclohex-2-en-1-one (CID 118081521) is 3-methyl-2-(propan-2-ylideneamino)cyclohex-2-en-1-one.
What is the SMILES notation for 3-methyl-2-(propan-2-ylideneamino)cyclohex-2-en-1-one?
The canonical SMILES for 3-methyl-2-(propan-2-ylideneamino)cyclohex-2-en-1-one is CC(C)=NC1=C(C)CCCC1=O.
What is the InChIKey of 3-methyl-2-(propan-2-ylideneamino)cyclohex-2-en-1-one?
The InChIKey is YHGRUCUUFKWNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-7(2)11-10-8(3)5-4-6-9(10)12/h4-6H2,1-3H3.
What are the key properties of 3-methyl-2-(propan-2-ylideneamino)cyclohex-2-en-1-one?
3-methyl-2-(propan-2-ylideneamino)cyclohex-2-en-1-one has a molecular weight of 165.24 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(propan-2-ylideneamino)cyclohex-2-en-1-one is sourced from PubChem (CID 118081521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).