1-(cyclohexen-1-yl)-3-methylpentan-1-one

C12H20O — CID 114874040

IUPAC1-(cyclohexen-1-yl)-3-methylpentan-1-one
SMILESCCC(C)CC(=O)C1=CCCCC1
InChIInChI=1S/C12H20O/c1-3-10(2)9-12(13)11-7-5-4-6-8-11/h7,10H,3-6,8-9H2,1-2H3
InChIKeyZJPGQLPZUAGUDS-UHFFFAOYSA-N
MW180.29 g/mol
LogP3.49
Rot. Bonds4

About 1-(cyclohexen-1-yl)-3-methylpentan-1-one

1-(cyclohexen-1-yl)-3-methylpentan-1-one (PubChem CID 114874040) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-3-methylpentan-1-one
PubChem CID114874040
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name1-(cyclohexen-1-yl)-3-methylpentan-1-one
SMILESCCC(C)CC(=O)C1=CCCCC1
InChIInChI=1S/C12H20O/c1-3-10(2)9-12(13)11-7-5-4-6-8-11/h7,10H,3-6,8-9H2,1-2H3
InChIKeyZJPGQLPZUAGUDS-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(cyclohexen-1-yl)-3-methylpentan-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

Related Compounds

1-(cyclohepten-1-yl)-3-methylhexan-1-one
CID 103450521
3-(aminomethyl)-1-(cyclohexen-1-yl)pentan-1-one
CID 106655578
1-(cyclohexen-1-yl)-4-methylhexan-2-one
CID 116659650
2-butan-2-ylsulfanyl-1-(cycloocten-1-yl)ethanone
CID 106651882
1-(cycloocten-1-yl)-2-ethoxyethanone
CID 106651939
1-(cyclohexen-1-yl)ethanone;propane
CID 142317492
2-(1-butan-2-ylpyrazol-3-yl)-1-(cyclohepten-1-yl)ethanone
CID 103450477
6-amino-1-(cyclohexen-1-yl)-4-ethylhexan-1-one
CID 106655401
5-amino-1-(cycloocten-1-yl)hexan-1-one
CID 106655703
1-(cycloocten-1-yl)-2,3-dimethylbutan-1-one
CID 106655769
3-amino-1-(cyclohexen-1-yl)-3-methylbutan-1-one
CID 106655429
1-(cyclohexen-1-yl)-4-hydroxybutan-1-one
CID 106677690

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-3-methylpentan-1-one?
The IUPAC name of 1-(cyclohexen-1-yl)-3-methylpentan-1-one (CID 114874040) is 1-(cyclohexen-1-yl)-3-methylpentan-1-one.
What is the SMILES notation for 1-(cyclohexen-1-yl)-3-methylpentan-1-one?
The canonical SMILES for 1-(cyclohexen-1-yl)-3-methylpentan-1-one is CCC(C)CC(=O)C1=CCCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-3-methylpentan-1-one?
The InChIKey is ZJPGQLPZUAGUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-3-10(2)9-12(13)11-7-5-4-6-8-11/h7,10H,3-6,8-9H2,1-2H3.
What are the key properties of 1-(cyclohexen-1-yl)-3-methylpentan-1-one?
1-(cyclohexen-1-yl)-3-methylpentan-1-one has a molecular weight of 180.29 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-3-methylpentan-1-one is sourced from PubChem (CID 114874040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).