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

C9H10O2 — CID 13152392

IUPAC1-(2-acetylcyclopenta-2,4-dien-1-yl)ethanone
SMILESCC(=O)C1=CC=CC1C(C)=O
InChIInChI=1S/C9H10O2/c1-6(10)8-4-3-5-9(8)7(2)11/h3-5,8H,1-2H3
InChIKeyLCGHMBIKWJXFOY-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.28
Rot. Bonds2

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

1-(2-acetylcyclopenta-2,4-dien-1-yl)ethanone (PubChem CID 13152392) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-(2-acetylcyclopenta-2,4-dien-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-acetylcyclopenta-2,4-dien-1-yl)ethanone
PubChem CID13152392
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name1-(2-acetylcyclopenta-2,4-dien-1-yl)ethanone
SMILESCC(=O)C1=CC=CC1C(C)=O
InChIInChI=1S/C9H10O2/c1-6(10)8-4-3-5-9(8)7(2)11/h3-5,8H,1-2H3
InChIKeyLCGHMBIKWJXFOY-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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-acetylcyclopenta-2,4-dien-1-yl)ethanone?
The IUPAC name of 1-(2-acetylcyclopenta-2,4-dien-1-yl)ethanone (CID 13152392) is 1-(2-acetylcyclopenta-2,4-dien-1-yl)ethanone.
What is the SMILES notation for 1-(2-acetylcyclopenta-2,4-dien-1-yl)ethanone?
The canonical SMILES for 1-(2-acetylcyclopenta-2,4-dien-1-yl)ethanone is CC(=O)C1=CC=CC1C(C)=O.
What is the InChIKey of 1-(2-acetylcyclopenta-2,4-dien-1-yl)ethanone?
The InChIKey is LCGHMBIKWJXFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-6(10)8-4-3-5-9(8)7(2)11/h3-5,8H,1-2H3.
What are the key properties of 1-(2-acetylcyclopenta-2,4-dien-1-yl)ethanone?
1-(2-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-(2-acetylcyclopenta-2,4-dien-1-yl)ethanone is sourced from PubChem (CID 13152392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).