1-cyclopent-2-en-1-ylethanone

C7H10O — CID 12714402

IUPAC1-cyclopent-2-en-1-ylethanone
SMILESCC(=O)C1C=CCC1
InChIInChI=1S/C7H10O/c1-6(8)7-4-2-3-5-7/h2,4,7H,3,5H2,1H3
InChIKeyUWDVYDSWRKPMFA-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.54
Rot. Bonds1

About 1-cyclopent-2-en-1-ylethanone

1-cyclopent-2-en-1-ylethanone (PubChem CID 12714402) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 1-cyclopent-2-en-1-ylethanone.

Molecular Properties

Compound Name1-cyclopent-2-en-1-ylethanone
PubChem CID12714402
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name1-cyclopent-2-en-1-ylethanone
SMILESCC(=O)C1C=CCC1
InChIInChI=1S/C7H10O/c1-6(8)7-4-2-3-5-7/h2,4,7H,3,5H2,1H3
InChIKeyUWDVYDSWRKPMFA-UHFFFAOYSA-N
XLogP1.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-2-en-1-ylethanone?
The IUPAC name of 1-cyclopent-2-en-1-ylethanone (CID 12714402) is 1-cyclopent-2-en-1-ylethanone.
What is the SMILES notation for 1-cyclopent-2-en-1-ylethanone?
The canonical SMILES for 1-cyclopent-2-en-1-ylethanone is CC(=O)C1C=CCC1.
What is the InChIKey of 1-cyclopent-2-en-1-ylethanone?
The InChIKey is UWDVYDSWRKPMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-6(8)7-4-2-3-5-7/h2,4,7H,3,5H2,1H3.
What are the key properties of 1-cyclopent-2-en-1-ylethanone?
1-cyclopent-2-en-1-ylethanone has a molecular weight of 110.16 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopent-2-en-1-ylethanone is sourced from PubChem (CID 12714402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).