1-(4-methylcyclopent-2-en-1-yl)propan-1-one

C9H14O — CID 59444303

IUPAC1-(4-methylcyclopent-2-en-1-yl)propan-1-one
SMILESCCC(=O)C1C=CC(C)C1
InChIInChI=1S/C9H14O/c1-3-9(10)8-5-4-7(2)6-8/h4-5,7-8H,3,6H2,1-2H3
InChIKeyGJOUIASNYIVYBT-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.18
Rot. Bonds2

About 1-(4-methylcyclopent-2-en-1-yl)propan-1-one

1-(4-methylcyclopent-2-en-1-yl)propan-1-one (PubChem CID 59444303) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-(4-methylcyclopent-2-en-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-methylcyclopent-2-en-1-yl)propan-1-one
PubChem CID59444303
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name1-(4-methylcyclopent-2-en-1-yl)propan-1-one
SMILESCCC(=O)C1C=CC(C)C1
InChIInChI=1S/C9H14O/c1-3-9(10)8-5-4-7(2)6-8/h4-5,7-8H,3,6H2,1-2H3
InChIKeyGJOUIASNYIVYBT-UHFFFAOYSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(4-methylcyclopent-2-en-1-yl)propan-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

methyl (4R)-4-methylcyclopent-2-ene-1-carboxylate
CID 134358359
2-methoxyethyl (1S)-4-methylcyclopent-2-ene-1-carboxylate
CID 163379852
1-[(1S,2R)-2-methylcyclopropyl]propan-1-one
CID 124509499
(1S,2R,4R)-3-propanoylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 130996457
1-(4,6-dimethylcyclohex-2-en-1-yl)pentan-1-one
CID 175237524
1-[3-(methylamino)cyclobutyl]propan-1-one
CID 165469771
2-propanoylcyclopropane-1-carboxylic acid
CID 68524876
3,5-dimethylcyclopentene;(Z)-3-methylhex-3-ene;(E)-3-methylhex-3-ene
CID 157050513
2,5-dimethylcyclohex-3-ene-1-carbonyl chloride
CID 54102044
[(1R,4S)-4-methylcyclopent-2-en-1-yl] acetate
CID 1277673
4-fluoro-2-propanoylcyclopentane-1-carboxylic acid
CID 130417348
6-propanoylcyclohex-3-ene-1-carboxylic acid
CID 89112270

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclopent-2-en-1-yl)propan-1-one?
The IUPAC name of 1-(4-methylcyclopent-2-en-1-yl)propan-1-one (CID 59444303) is 1-(4-methylcyclopent-2-en-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-methylcyclopent-2-en-1-yl)propan-1-one?
The canonical SMILES for 1-(4-methylcyclopent-2-en-1-yl)propan-1-one is CCC(=O)C1C=CC(C)C1.
What is the InChIKey of 1-(4-methylcyclopent-2-en-1-yl)propan-1-one?
The InChIKey is GJOUIASNYIVYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-9(10)8-5-4-7(2)6-8/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 1-(4-methylcyclopent-2-en-1-yl)propan-1-one?
1-(4-methylcyclopent-2-en-1-yl)propan-1-one has a molecular weight of 138.21 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclopent-2-en-1-yl)propan-1-one is sourced from PubChem (CID 59444303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).