3-ethenyl-2-[(E)-2-hydroxyethenyl]cyclopent-2-en-1-one

C9H10O2 — CID 130413027

IUPAC3-ethenyl-2-[(E)-2-hydroxyethenyl]cyclopent-2-en-1-one
SMILESC=CC1=C(/C=C/O)C(=O)CC1
InChIInChI=1S/C9H10O2/c1-2-7-3-4-9(11)8(7)5-6-10/h2,5-6,10H,1,3-4H2/b6-5+
InChIKeyUECLUXKEBOOUSJ-AATRIKPKSA-N
MW150.18 g/mol
LogP1.90
Rot. Bonds2

About 3-ethenyl-2-[(E)-2-hydroxyethenyl]cyclopent-2-en-1-one

3-ethenyl-2-[(E)-2-hydroxyethenyl]cyclopent-2-en-1-one (PubChem CID 130413027) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 3-ethenyl-2-[(E)-2-hydroxyethenyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-ethenyl-2-[(E)-2-hydroxyethenyl]cyclopent-2-en-1-one
PubChem CID130413027
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name3-ethenyl-2-[(E)-2-hydroxyethenyl]cyclopent-2-en-1-one
SMILESC=CC1=C(/C=C/O)C(=O)CC1
InChIInChI=1S/C9H10O2/c1-2-7-3-4-9(11)8(7)5-6-10/h2,5-6,10H,1,3-4H2/b6-5+
InChIKeyUECLUXKEBOOUSJ-AATRIKPKSA-N
XLogP1.90
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-ethenyl-2-[(E)-2-hydroxyethenyl]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 3-ethenyl-2-[(E)-2-hydroxyethenyl]cyclopent-2-en-1-one?
The IUPAC name of 3-ethenyl-2-[(E)-2-hydroxyethenyl]cyclopent-2-en-1-one (CID 130413027) is 3-ethenyl-2-[(E)-2-hydroxyethenyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-ethenyl-2-[(E)-2-hydroxyethenyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-ethenyl-2-[(E)-2-hydroxyethenyl]cyclopent-2-en-1-one is C=CC1=C(/C=C/O)C(=O)CC1.
What is the InChIKey of 3-ethenyl-2-[(E)-2-hydroxyethenyl]cyclopent-2-en-1-one?
The InChIKey is UECLUXKEBOOUSJ-AATRIKPKSA-N. The full InChI is InChI=1S/C9H10O2/c1-2-7-3-4-9(11)8(7)5-6-10/h2,5-6,10H,1,3-4H2/b6-5+.
What are the key properties of 3-ethenyl-2-[(E)-2-hydroxyethenyl]cyclopent-2-en-1-one?
3-ethenyl-2-[(E)-2-hydroxyethenyl]cyclopent-2-en-1-one has a molecular weight of 150.18 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-[(E)-2-hydroxyethenyl]cyclopent-2-en-1-one is sourced from PubChem (CID 130413027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).