4-hydroxy-3-methyl-2-(2-methylpropyl)cyclopent-2-en-1-one

C10H16O2 — CID 13208641

IUPAC4-hydroxy-3-methyl-2-(2-methylpropyl)cyclopent-2-en-1-one
SMILESCC1=C(CC(C)C)C(=O)CC1O
InChIInChI=1S/C10H16O2/c1-6(2)4-8-7(3)9(11)5-10(8)12/h6,9,11H,4-5H2,1-3H3
InChIKeyVPTTXUUQYUXORC-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.68
Rot. Bonds2

About 4-hydroxy-3-methyl-2-(2-methylpropyl)cyclopent-2-en-1-one

4-hydroxy-3-methyl-2-(2-methylpropyl)cyclopent-2-en-1-one (PubChem CID 13208641) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-2-(2-methylpropyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-3-methyl-2-(2-methylpropyl)cyclopent-2-en-1-one
PubChem CID13208641
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name4-hydroxy-3-methyl-2-(2-methylpropyl)cyclopent-2-en-1-one
SMILESCC1=C(CC(C)C)C(=O)CC1O
InChIInChI=1S/C10H16O2/c1-6(2)4-8-7(3)9(11)5-10(8)12/h6,9,11H,4-5H2,1-3H3
InChIKeyVPTTXUUQYUXORC-UHFFFAOYSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-hydroxy-3-methyl-2-(2-methylpropyl)cyclopent-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

Related Compounds

4-hydroxy-3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one
CID 5374699
(4R)-2-(hydroxymethyl)-3-methyl-4-methylsulfanylcyclopent-2-en-1-one
CID 146683518
2-methyl-4-methylidene-3-prop-2-enylcyclopent-2-en-1-ol
CID 12952598
5,6-bis(2-methylpropyl)-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
CID 151356919
4-hydroxy-3-methoxy-2-methylcyclopent-2-en-1-one
CID 4083064
3-methyl-1-(4-methylphenyl)-4-(2-methylpropyl)pyrrole-2,5-dione
CID 58230224
2-ethyl-3-methyl-4-propan-2-ylcyclopent-2-en-1-one;2-(2-methylpropyl)-4,5,6,7-tetrahydroisoindole-1,3-dione;1,2,4,5-tetrafluoro-3-methyl-6-(2-methylpropyl)benzene
CID 162235122
3-methyl-6-(2-methylpropyl)-2,3-dihydroinden-1-one
CID 63821918
4-ethylidene-2-methyl-3-prop-2-enylcyclopent-2-en-1-ol
CID 54359162
4-amino-2-(2-hydroxycyclohexyl)-5-(2-methylpropyl)-1H-pyrazol-3-one
CID 103995227
2,3-dimethyl-5-(2-methylpropyl)cyclohex-2-en-1-one
CID 130318500
(4S,6S)-4-hydroxy-3-methyl-6-propan-2-ylcyclohex-2-en-1-one
CID 130858490

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-2-(2-methylpropyl)cyclopent-2-en-1-one?
The IUPAC name of 4-hydroxy-3-methyl-2-(2-methylpropyl)cyclopent-2-en-1-one (CID 13208641) is 4-hydroxy-3-methyl-2-(2-methylpropyl)cyclopent-2-en-1-one.
What is the SMILES notation for 4-hydroxy-3-methyl-2-(2-methylpropyl)cyclopent-2-en-1-one?
The canonical SMILES for 4-hydroxy-3-methyl-2-(2-methylpropyl)cyclopent-2-en-1-one is CC1=C(CC(C)C)C(=O)CC1O.
What is the InChIKey of 4-hydroxy-3-methyl-2-(2-methylpropyl)cyclopent-2-en-1-one?
The InChIKey is VPTTXUUQYUXORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-6(2)4-8-7(3)9(11)5-10(8)12/h6,9,11H,4-5H2,1-3H3.
What are the key properties of 4-hydroxy-3-methyl-2-(2-methylpropyl)cyclopent-2-en-1-one?
4-hydroxy-3-methyl-2-(2-methylpropyl)cyclopent-2-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-2-(2-methylpropyl)cyclopent-2-en-1-one is sourced from PubChem (CID 13208641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).