1-(1-acetylcyclopenta-2,4-dien-1-yl)ethanone

C9H10O2 — CID 15072307

IUPAC1-(1-acetylcyclopenta-2,4-dien-1-yl)ethanone
SMILESCC(=O)C1(C(C)=O)C=CC=C1
InChIInChI=1S/C9H10O2/c1-7(10)9(8(2)11)5-3-4-6-9/h3-6H,1-2H3
InChIKeyOVBQVNYIQLZANI-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.28
Rot. Bonds2

About 1-(1-acetylcyclopenta-2,4-dien-1-yl)ethanone

1-(1-acetylcyclopenta-2,4-dien-1-yl)ethanone (PubChem CID 15072307) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-(1-acetylcyclopenta-2,4-dien-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-acetylcyclopenta-2,4-dien-1-yl)ethanone
PubChem CID15072307
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name1-(1-acetylcyclopenta-2,4-dien-1-yl)ethanone
SMILESCC(=O)C1(C(C)=O)C=CC=C1
InChIInChI=1S/C9H10O2/c1-7(10)9(8(2)11)5-3-4-6-9/h3-6H,1-2H3
InChIKeyOVBQVNYIQLZANI-UHFFFAOYSA-N
XLogP1.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-acetyl-1,4-dihydroxycyclohexa-2,5-dien-1-yl)ethanone
CID 20539777
(1-acetylcyclohexa-2,4-dien-1-yl)boronic acid
CID 142702865
1-(2-hydroxypyran-2-yl)ethanone
CID 140525071
1-(1,6-dichlorocyclohexa-2,4-dien-1-yl)ethanone
CID 150946013
1-[2-(hydroxymethyl)-1H-pyridin-2-yl]ethanone
CID 174946591
1-[1-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]ethanone
CID 141023556
acetic acid;nickel(2+)
CID 22169473
1-(1-acetylcyclopent-2-en-1-yl)ethanone
CID 45085922
6-bromo-6-iodocyclohexa-2,4-diene-1-carboxamide
CID 139434519
1-[(1R)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone;1-[(1S)-1,2,2-trimethylcyclopent-3-en-1-yl]ethanone
CID 158515007
2-chloro-N-methyl-1H-pyridine-2-carboxamide
CID 151398196
1-(1-hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-2-one
CID 141440234

Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylcyclopenta-2,4-dien-1-yl)ethanone?
The IUPAC name of 1-(1-acetylcyclopenta-2,4-dien-1-yl)ethanone (CID 15072307) is 1-(1-acetylcyclopenta-2,4-dien-1-yl)ethanone.
What is the SMILES notation for 1-(1-acetylcyclopenta-2,4-dien-1-yl)ethanone?
The canonical SMILES for 1-(1-acetylcyclopenta-2,4-dien-1-yl)ethanone is CC(=O)C1(C(C)=O)C=CC=C1.
What is the InChIKey of 1-(1-acetylcyclopenta-2,4-dien-1-yl)ethanone?
The InChIKey is OVBQVNYIQLZANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-7(10)9(8(2)11)5-3-4-6-9/h3-6H,1-2H3.
What are the key properties of 1-(1-acetylcyclopenta-2,4-dien-1-yl)ethanone?
1-(1-acetylcyclopenta-2,4-dien-1-yl)ethanone has a molecular weight of 150.18 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylcyclopenta-2,4-dien-1-yl)ethanone is sourced from PubChem (CID 15072307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).