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

C6H7NO3 — CID 10898807

IUPAC1-acetyl-2-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)N1C(=O)C=CC1O
InChIInChI=1S/C6H7NO3/c1-4(8)7-5(9)2-3-6(7)10/h2-3,5,9H,1H3
InChIKeyGPTIBVYVSMLPDZ-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.75
Rot. Bonds

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

1-acetyl-2-hydroxy-2H-pyrrol-5-one (PubChem CID 10898807) has the molecular formula C6H7NO3 and a molecular weight of 141.13 g/mol. Its IUPAC name is 1-acetyl-2-hydroxy-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-acetyl-2-hydroxy-2H-pyrrol-5-one
PubChem CID10898807
Molecular FormulaC6H7NO3
Molecular Weight141.13 g/mol
Exact Mass141.04
IUPAC Name1-acetyl-2-hydroxy-2H-pyrrol-5-one
SMILESCC(=O)N1C(=O)C=CC1O
InChIInChI=1S/C6H7NO3/c1-4(8)7-5(9)2-3-6(7)10/h2-3,5,9H,1H3
InChIKeyGPTIBVYVSMLPDZ-UHFFFAOYSA-N
XLogP-0.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-hydroxy-2H-pyrrol-5-one?
The IUPAC name of 1-acetyl-2-hydroxy-2H-pyrrol-5-one (CID 10898807) is 1-acetyl-2-hydroxy-2H-pyrrol-5-one.
What is the SMILES notation for 1-acetyl-2-hydroxy-2H-pyrrol-5-one?
The canonical SMILES for 1-acetyl-2-hydroxy-2H-pyrrol-5-one is CC(=O)N1C(=O)C=CC1O.
What is the InChIKey of 1-acetyl-2-hydroxy-2H-pyrrol-5-one?
The InChIKey is GPTIBVYVSMLPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO3/c1-4(8)7-5(9)2-3-6(7)10/h2-3,5,9H,1H3.
What are the key properties of 1-acetyl-2-hydroxy-2H-pyrrol-5-one?
1-acetyl-2-hydroxy-2H-pyrrol-5-one has a molecular weight of 141.13 g/mol, XLogP of -0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-hydroxy-2H-pyrrol-5-one is sourced from PubChem (CID 10898807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).