2-acetyl-3-methylcycloprop-2-en-1-one

C6H6O2 — CID 164818342

IUPAC2-acetyl-3-methylcycloprop-2-en-1-one
SMILESCC(=O)c1c(C)c1=O
InChIInChI=1S/C6H6O2/c1-3-5(4(2)7)6(3)8/h1-2H3
InChIKeyUEPZJSCOKMFRDQ-UHFFFAOYSA-N
MW110.11 g/mol
LogP0.43
Rot. Bonds1

About 2-acetyl-3-methylcycloprop-2-en-1-one

2-acetyl-3-methylcycloprop-2-en-1-one (PubChem CID 164818342) has the molecular formula C6H6O2 and a molecular weight of 110.11 g/mol. Its IUPAC name is 2-acetyl-3-methylcycloprop-2-en-1-one.

Molecular Properties

Compound Name2-acetyl-3-methylcycloprop-2-en-1-one
PubChem CID164818342
Molecular FormulaC6H6O2
Molecular Weight110.11 g/mol
Exact Mass110.04
IUPAC Name2-acetyl-3-methylcycloprop-2-en-1-one
SMILESCC(=O)c1c(C)c1=O
InChIInChI=1S/C6H6O2/c1-3-5(4(2)7)6(3)8/h1-2H3
InChIKeyUEPZJSCOKMFRDQ-UHFFFAOYSA-N
XLogP0.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.11
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-diacetyl-4,6-dimethyl-1H-pyridin-2-one
CID 15555017
1-(7-methyl-2-tricyclo[6.2.0.03,6]deca-1,3(6),7-trienyl)ethanone
CID 57244245
1-(6-ethyl-2,3,4-trimethylphenyl)ethanone
CID 134554334
1-(2,3-difluoro-4,5,6-trimethylphenyl)ethanone
CID 123835256
ethane;1-(2,3,6-trimethylphenyl)ethanone
CID 155747845
3-acetyl-4,5-dimethyl-1H-pyridin-2-one
CID 14841769
2-hydroxy-3-methylcycloprop-2-en-1-one
CID 59349696
1-(5-acetyl-2,4-dimethylfuran-3-yl)ethanone
CID 638373
1-(2,4-diacetyl-5-ethyl-3-methylphenyl)ethanone
CID 13170022
diiodovanadium;1-(2-hydroxy-3,4,5,6-tetramethylphenyl)ethanone
CID 159831301
2,3,6,7-tetramethylanthracene-1,4,5,8,9,10-hexone
CID 59326459
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-3-methylcycloprop-2-en-1-one?
The IUPAC name of 2-acetyl-3-methylcycloprop-2-en-1-one (CID 164818342) is 2-acetyl-3-methylcycloprop-2-en-1-one.
What is the SMILES notation for 2-acetyl-3-methylcycloprop-2-en-1-one?
The canonical SMILES for 2-acetyl-3-methylcycloprop-2-en-1-one is CC(=O)c1c(C)c1=O.
What is the InChIKey of 2-acetyl-3-methylcycloprop-2-en-1-one?
The InChIKey is UEPZJSCOKMFRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2/c1-3-5(4(2)7)6(3)8/h1-2H3.
What are the key properties of 2-acetyl-3-methylcycloprop-2-en-1-one?
2-acetyl-3-methylcycloprop-2-en-1-one has a molecular weight of 110.11 g/mol, XLogP of 0.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-3-methylcycloprop-2-en-1-one is sourced from PubChem (CID 164818342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).