1-cyclopenta-2,4-dien-1-yl-2-hydroxyethanone

C7H8O2 — CID 25090616

IUPAC1-cyclopenta-2,4-dien-1-yl-2-hydroxyethanone
SMILESO=C(CO)C1C=CC=C1
InChIInChI=1S/C7H8O2/c8-5-7(9)6-3-1-2-4-6/h1-4,6,8H,5H2
InChIKeyJJWGFIDAUJJBGZ-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.29
Rot. Bonds2

About 1-cyclopenta-2,4-dien-1-yl-2-hydroxyethanone

1-cyclopenta-2,4-dien-1-yl-2-hydroxyethanone (PubChem CID 25090616) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-yl-2-hydroxyethanone.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-yl-2-hydroxyethanone
PubChem CID25090616
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name1-cyclopenta-2,4-dien-1-yl-2-hydroxyethanone
SMILESO=C(CO)C1C=CC=C1
InChIInChI=1S/C7H8O2/c8-5-7(9)6-3-1-2-4-6/h1-4,6,8H,5H2
InChIKeyJJWGFIDAUJJBGZ-UHFFFAOYSA-N
XLogP0.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclopenta-2,4-dien-1-yl-2-hydroxyethanone 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 1-cyclopenta-2,4-dien-1-yl-2-hydroxyethanone?
The IUPAC name of 1-cyclopenta-2,4-dien-1-yl-2-hydroxyethanone (CID 25090616) is 1-cyclopenta-2,4-dien-1-yl-2-hydroxyethanone.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-yl-2-hydroxyethanone?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-yl-2-hydroxyethanone is O=C(CO)C1C=CC=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-yl-2-hydroxyethanone?
The InChIKey is JJWGFIDAUJJBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c8-5-7(9)6-3-1-2-4-6/h1-4,6,8H,5H2.
What are the key properties of 1-cyclopenta-2,4-dien-1-yl-2-hydroxyethanone?
1-cyclopenta-2,4-dien-1-yl-2-hydroxyethanone has a molecular weight of 124.14 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-yl-2-hydroxyethanone is sourced from PubChem (CID 25090616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).