1-acetyl-2-methyl-2H-pyrrol-5-one

C7H9NO2 — CID 59066424

IUPAC1-acetyl-2-methyl-2H-pyrrol-5-one
SMILESCC(=O)N1C(=O)C=CC1C
InChIInChI=1S/C7H9NO2/c1-5-3-4-7(10)8(5)6(2)9/h3-5H,1-2H3
InChIKeyNVGYOEQWGZREMX-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.32
Rot. Bonds

About 1-acetyl-2-methyl-2H-pyrrol-5-one

1-acetyl-2-methyl-2H-pyrrol-5-one (PubChem CID 59066424) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 1-acetyl-2-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-acetyl-2-methyl-2H-pyrrol-5-one
PubChem CID59066424
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name1-acetyl-2-methyl-2H-pyrrol-5-one
SMILESCC(=O)N1C(=O)C=CC1C
InChIInChI=1S/C7H9NO2/c1-5-3-4-7(10)8(5)6(2)9/h3-5H,1-2H3
InChIKeyNVGYOEQWGZREMX-UHFFFAOYSA-N
XLogP0.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-methyl-2H-pyrrol-5-one?
The IUPAC name of 1-acetyl-2-methyl-2H-pyrrol-5-one (CID 59066424) is 1-acetyl-2-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-acetyl-2-methyl-2H-pyrrol-5-one?
The canonical SMILES for 1-acetyl-2-methyl-2H-pyrrol-5-one is CC(=O)N1C(=O)C=CC1C.
What is the InChIKey of 1-acetyl-2-methyl-2H-pyrrol-5-one?
The InChIKey is NVGYOEQWGZREMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-5-3-4-7(10)8(5)6(2)9/h3-5H,1-2H3.
What are the key properties of 1-acetyl-2-methyl-2H-pyrrol-5-one?
1-acetyl-2-methyl-2H-pyrrol-5-one has a molecular weight of 139.15 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 59066424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).