(3-methyl-2-oxocyclopent-3-en-1-yl) acetate

C8H10O3 — CID 45083097

IUPAC(3-methyl-2-oxocyclopent-3-en-1-yl) acetate
SMILESCC(=O)OC1CC=C(C)C1=O
InChIInChI=1S/C8H10O3/c1-5-3-4-7(8(5)10)11-6(2)9/h3,7H,4H2,1-2H3
InChIKeyMSKAMEIUCQSMHR-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.84
Rot. Bonds1

About (3-methyl-2-oxocyclopent-3-en-1-yl) acetate

(3-methyl-2-oxocyclopent-3-en-1-yl) acetate (PubChem CID 45083097) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (3-methyl-2-oxocyclopent-3-en-1-yl) acetate.

Molecular Properties

Compound Name(3-methyl-2-oxocyclopent-3-en-1-yl) acetate
PubChem CID45083097
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(3-methyl-2-oxocyclopent-3-en-1-yl) acetate
SMILESCC(=O)OC1CC=C(C)C1=O
InChIInChI=1S/C8H10O3/c1-5-3-4-7(8(5)10)11-6(2)9/h3,7H,4H2,1-2H3
InChIKeyMSKAMEIUCQSMHR-UHFFFAOYSA-N
XLogP0.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-methyl-2-oxocyclopent-3-en-1-yl) acetate 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

(6-Methyl-2-oxohept-5-en-3-yl) acetate
CID 11788672
(2-Oxocyclopent-3-en-1-yl) acetate
CID 14027334
Methyl 3-ethyl-2-oxo-3-pentenoate
CID 85610252
(5E)-3-Acetoxy-6,10-dimethyl-undeca-5,9-dien-2-one
CID 9878224
2-Cyclohexen-1-one, 6-(acetyloxy)-3-methyl-
CID 10997429
Acetic acid 2-oxo-cyclohex-3-enyl ester
CID 11389500
[(3R)-6-methyl-2-oxohept-5-en-3-yl] acetate
CID 11194726
Ethyl 3-ethyl-2-oxo-3-pentenoate
CID 86179398
Ethyl 2-oxo-3-vinyl-3-pentenoate
CID 129766994
5-Ethoxy-2,5-dimethylcyclopent-2-en-1-one
CID 135014431
(5S)-5-ethoxy-2,5-dimethylcyclopent-2-en-1-one
CID 135014768
2-Cyclopenten-1-one, 5-(acetyloxy)-3-methyl-
CID 11309625

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-oxocyclopent-3-en-1-yl) acetate?
The IUPAC name of (3-methyl-2-oxocyclopent-3-en-1-yl) acetate (CID 45083097) is (3-methyl-2-oxocyclopent-3-en-1-yl) acetate.
What is the SMILES notation for (3-methyl-2-oxocyclopent-3-en-1-yl) acetate?
The canonical SMILES for (3-methyl-2-oxocyclopent-3-en-1-yl) acetate is CC(=O)OC1CC=C(C)C1=O.
What is the InChIKey of (3-methyl-2-oxocyclopent-3-en-1-yl) acetate?
The InChIKey is MSKAMEIUCQSMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5-3-4-7(8(5)10)11-6(2)9/h3,7H,4H2,1-2H3.
What are the key properties of (3-methyl-2-oxocyclopent-3-en-1-yl) acetate?
(3-methyl-2-oxocyclopent-3-en-1-yl) acetate has a molecular weight of 154.16 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-oxocyclopent-3-en-1-yl) acetate is sourced from PubChem (CID 45083097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).