4-hydroxy-3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one

C11H16O2 — CID 5374699

IUPAC4-hydroxy-3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one
SMILESCC/C=C/CC1=C(C)C(O)CC1=O
InChIInChI=1S/C11H16O2/c1-3-4-5-6-9-8(2)10(12)7-11(9)13/h4-5,10,12H,3,6-7H2,1-2H3/b5-4+
InChIKeySVRKACAGHUZSGU-SNAWJCMRSA-N
MW180.25 g/mol
LogP1.99
Rot. Bonds3

About 4-hydroxy-3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one

4-hydroxy-3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one (PubChem CID 5374699) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one
PubChem CID5374699
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name4-hydroxy-3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one
SMILESCC/C=C/CC1=C(C)C(O)CC1=O
InChIInChI=1S/C11H16O2/c1-3-4-5-6-9-8(2)10(12)7-11(9)13/h4-5,10,12H,3,6-7H2,1-2H3/b5-4+
InChIKeySVRKACAGHUZSGU-SNAWJCMRSA-N
XLogP1.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-hydroxy-3-methyl-2-[(E)-pent-2-enyl]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

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one?
The IUPAC name of 4-hydroxy-3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one (CID 5374699) is 4-hydroxy-3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for 4-hydroxy-3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one?
The canonical SMILES for 4-hydroxy-3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one is CC/C=C/CC1=C(C)C(O)CC1=O.
What is the InChIKey of 4-hydroxy-3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one?
The InChIKey is SVRKACAGHUZSGU-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H16O2/c1-3-4-5-6-9-8(2)10(12)7-11(9)13/h4-5,10,12H,3,6-7H2,1-2H3/b5-4+.
What are the key properties of 4-hydroxy-3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one?
4-hydroxy-3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one has a molecular weight of 180.25 g/mol, XLogP of 1.99, 3 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-[(E)-pent-2-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 5374699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).