4-acetyl-1,3-dihydropyrrol-2-one

C6H7NO2 — CID 15892791

IUPAC4-acetyl-1,3-dihydropyrrol-2-one
SMILESCC(=O)C1=CNC(=O)C1
InChIInChI=1S/C6H7NO2/c1-4(8)5-2-6(9)7-3-5/h3H,2H2,1H3,(H,7,9)
InChIKeyZHQGXFLLKQATDZ-UHFFFAOYSA-N
MW125.13 g/mol
LogP-0.02
Rot. Bonds1

About 4-acetyl-1,3-dihydropyrrol-2-one

4-acetyl-1,3-dihydropyrrol-2-one (PubChem CID 15892791) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 4-acetyl-1,3-dihydropyrrol-2-one.

Molecular Properties

Compound Name4-acetyl-1,3-dihydropyrrol-2-one
PubChem CID15892791
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name4-acetyl-1,3-dihydropyrrol-2-one
SMILESCC(=O)C1=CNC(=O)C1
InChIInChI=1S/C6H7NO2/c1-4(8)5-2-6(9)7-3-5/h3H,2H2,1H3,(H,7,9)
InChIKeyZHQGXFLLKQATDZ-UHFFFAOYSA-N
XLogP-0.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1,3-dihydropyrrol-2-one?
The IUPAC name of 4-acetyl-1,3-dihydropyrrol-2-one (CID 15892791) is 4-acetyl-1,3-dihydropyrrol-2-one.
What is the SMILES notation for 4-acetyl-1,3-dihydropyrrol-2-one?
The canonical SMILES for 4-acetyl-1,3-dihydropyrrol-2-one is CC(=O)C1=CNC(=O)C1.
What is the InChIKey of 4-acetyl-1,3-dihydropyrrol-2-one?
The InChIKey is ZHQGXFLLKQATDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-4(8)5-2-6(9)7-3-5/h3H,2H2,1H3,(H,7,9).
What are the key properties of 4-acetyl-1,3-dihydropyrrol-2-one?
4-acetyl-1,3-dihydropyrrol-2-one has a molecular weight of 125.13 g/mol, XLogP of -0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1,3-dihydropyrrol-2-one is sourced from PubChem (CID 15892791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).