1-cyclopent-3-en-1-yl-2-hydroxyethanone

C7H10O2 — CID 130027310

IUPAC1-cyclopent-3-en-1-yl-2-hydroxyethanone
SMILESO=C(CO)C1CC=CC1
InChIInChI=1S/C7H10O2/c8-5-7(9)6-3-1-2-4-6/h1-2,6,8H,3-5H2
InChIKeyBYIBSKNJQFZCHU-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.51
Rot. Bonds2

About 1-cyclopent-3-en-1-yl-2-hydroxyethanone

1-cyclopent-3-en-1-yl-2-hydroxyethanone (PubChem CID 130027310) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 1-cyclopent-3-en-1-yl-2-hydroxyethanone.

Molecular Properties

Compound Name1-cyclopent-3-en-1-yl-2-hydroxyethanone
PubChem CID130027310
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name1-cyclopent-3-en-1-yl-2-hydroxyethanone
SMILESO=C(CO)C1CC=CC1
InChIInChI=1S/C7H10O2/c8-5-7(9)6-3-1-2-4-6/h1-2,6,8H,3-5H2
InChIKeyBYIBSKNJQFZCHU-UHFFFAOYSA-N
XLogP0.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopent-3-en-1-yl-2-hydroxyethanone?
The IUPAC name of 1-cyclopent-3-en-1-yl-2-hydroxyethanone (CID 130027310) is 1-cyclopent-3-en-1-yl-2-hydroxyethanone.
What is the SMILES notation for 1-cyclopent-3-en-1-yl-2-hydroxyethanone?
The canonical SMILES for 1-cyclopent-3-en-1-yl-2-hydroxyethanone is O=C(CO)C1CC=CC1.
What is the InChIKey of 1-cyclopent-3-en-1-yl-2-hydroxyethanone?
The InChIKey is BYIBSKNJQFZCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c8-5-7(9)6-3-1-2-4-6/h1-2,6,8H,3-5H2.
What are the key properties of 1-cyclopent-3-en-1-yl-2-hydroxyethanone?
1-cyclopent-3-en-1-yl-2-hydroxyethanone has a molecular weight of 126.15 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-3-en-1-yl-2-hydroxyethanone is sourced from PubChem (CID 130027310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).