4-acetylcyclopent-2-en-1-one

C7H8O2 — CID 16753251

IUPAC4-acetylcyclopent-2-en-1-one
SMILESCC(=O)C1C=CC(=O)C1
InChIInChI=1S/C7H8O2/c1-5(8)6-2-3-7(9)4-6/h2-3,6H,4H2,1H3
InChIKeyCUIVBOOSZMPNRM-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.72
Rot. Bonds1

About 4-acetylcyclopent-2-en-1-one

4-acetylcyclopent-2-en-1-one (PubChem CID 16753251) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 4-acetylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-acetylcyclopent-2-en-1-one
PubChem CID16753251
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name4-acetylcyclopent-2-en-1-one
SMILESCC(=O)C1C=CC(=O)C1
InChIInChI=1S/C7H8O2/c1-5(8)6-2-3-7(9)4-6/h2-3,6H,4H2,1H3
InChIKeyCUIVBOOSZMPNRM-UHFFFAOYSA-N
XLogP0.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-prop-1-en-2-ylcyclopent-2-en-1-one
CID 168900323
2-hydroxyethyl 4-oxocyclopent-2-ene-1-carboxylate
CID 14025014
5-acetylcyclohex-3-en-1-one
CID 45085527
1-(5-aminocyclohexa-2,4-dien-1-yl)ethanone
CID 70328282
(4R)-4-hydroxycyclopent-2-en-1-one
CID 6558436
4,5-dimethylcyclohexa-2,4-diene-1-carboxylic acid
CID 91023883
(4S,5R)-4-hydroxy-5-methylcyclohex-2-en-1-one
CID 11693909
4,5-ditert-butylcyclohex-2-en-1-one
CID 58849833
1,4a,8,8a-tetrahydronaphthalene-2,7-dione
CID 123164314
1-(4-methyliminocyclohex-2-en-1-yl)ethanone
CID 91552461
4-methylcyclohexa-2,4-diene-1-carboxylic acid
CID 18387156
(4R)-4-(4-hydroxyphenyl)cyclopent-2-en-1-one
CID 134966917

Frequently Asked Questions

What is the IUPAC name of 4-acetylcyclopent-2-en-1-one?
The IUPAC name of 4-acetylcyclopent-2-en-1-one (CID 16753251) is 4-acetylcyclopent-2-en-1-one.
What is the SMILES notation for 4-acetylcyclopent-2-en-1-one?
The canonical SMILES for 4-acetylcyclopent-2-en-1-one is CC(=O)C1C=CC(=O)C1.
What is the InChIKey of 4-acetylcyclopent-2-en-1-one?
The InChIKey is CUIVBOOSZMPNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-5(8)6-2-3-7(9)4-6/h2-3,6H,4H2,1H3.
What are the key properties of 4-acetylcyclopent-2-en-1-one?
4-acetylcyclopent-2-en-1-one has a molecular weight of 124.14 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetylcyclopent-2-en-1-one is sourced from PubChem (CID 16753251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).