1-(1-acetylcyclopent-2-en-1-yl)ethanone

C9H12O2 — CID 45085922

IUPAC1-(1-acetylcyclopent-2-en-1-yl)ethanone
SMILESCC(=O)C1(C(C)=O)C=CCC1
InChIInChI=1S/C9H12O2/c1-7(10)9(8(2)11)5-3-4-6-9/h3,5H,4,6H2,1-2H3
InChIKeyRBPTWQKPTSXVTA-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.50
Rot. Bonds2

About 1-(1-acetylcyclopent-2-en-1-yl)ethanone

1-(1-acetylcyclopent-2-en-1-yl)ethanone (PubChem CID 45085922) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 1-(1-acetylcyclopent-2-en-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-acetylcyclopent-2-en-1-yl)ethanone
PubChem CID45085922
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name1-(1-acetylcyclopent-2-en-1-yl)ethanone
SMILESCC(=O)C1(C(C)=O)C=CCC1
InChIInChI=1S/C9H12O2/c1-7(10)9(8(2)11)5-3-4-6-9/h3,5H,4,6H2,1-2H3
InChIKeyRBPTWQKPTSXVTA-UHFFFAOYSA-N
XLogP1.50
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

dipropan-2-yl cyclopent-2-ene-1,1-dicarboxylate
CID 140996022
1-methylcyclopent-2-ene-1-carboxylate
CID 23127641
methyl 1-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 141277029
1,2,2-trimethylcyclohex-3-ene-1-carboxylic acid
CID 90472881
cyclonon-2-ene-1,1-dicarboxylic acid
CID 154315592
(2Z)-cyclodec-2-ene-1,1-dicarboxylic acid
CID 118323024
diethyl cyclohex-2-ene-1,1-dicarboxylate
CID 10944145
2-(1,6,6-trimethylcyclohex-2-en-1-yl)ethyl acetate
CID 123721103
1-(4-acetyl-1-bicyclo[2.2.2]octanyl)ethanone
CID 13227637
1-aminocyclopent-2-en-1-ol
CID 23056881
butan-2-one;3,3-dimethylcyclohexene;2,2-dimethylpropane;methane
CID 158843817
1-(4-acetyl-1,4-dihydroxycyclohexa-2,5-dien-1-yl)ethanone
CID 20539777

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylcyclopent-2-en-1-yl)ethanone?
The IUPAC name of 1-(1-acetylcyclopent-2-en-1-yl)ethanone (CID 45085922) is 1-(1-acetylcyclopent-2-en-1-yl)ethanone.
What is the SMILES notation for 1-(1-acetylcyclopent-2-en-1-yl)ethanone?
The canonical SMILES for 1-(1-acetylcyclopent-2-en-1-yl)ethanone is CC(=O)C1(C(C)=O)C=CCC1.
What is the InChIKey of 1-(1-acetylcyclopent-2-en-1-yl)ethanone?
The InChIKey is RBPTWQKPTSXVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-7(10)9(8(2)11)5-3-4-6-9/h3,5H,4,6H2,1-2H3.
What are the key properties of 1-(1-acetylcyclopent-2-en-1-yl)ethanone?
1-(1-acetylcyclopent-2-en-1-yl)ethanone has a molecular weight of 152.19 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylcyclopent-2-en-1-yl)ethanone is sourced from PubChem (CID 45085922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).