1-acetyl-3-hydroxy-2-methyl-2H-pyrrol-5-one

C7H9NO3 — CID 175114816

IUPAC1-acetyl-3-hydroxy-2-methyl-2H-pyrrol-5-one
SMILESCC(=O)N1C(=O)C=C(O)C1C
InChIInChI=1S/C7H9NO3/c1-4-6(10)3-7(11)8(4)5(2)9/h3-4,10H,1-2H3
InChIKeyBPPIVCLGVSESAS-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.21
Rot. Bonds

About 1-acetyl-3-hydroxy-2-methyl-2H-pyrrol-5-one

1-acetyl-3-hydroxy-2-methyl-2H-pyrrol-5-one (PubChem CID 175114816) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 1-acetyl-3-hydroxy-2-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name1-acetyl-3-hydroxy-2-methyl-2H-pyrrol-5-one
PubChem CID175114816
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name1-acetyl-3-hydroxy-2-methyl-2H-pyrrol-5-one
SMILESCC(=O)N1C(=O)C=C(O)C1C
InChIInChI=1S/C7H9NO3/c1-4-6(10)3-7(11)8(4)5(2)9/h3-4,10H,1-2H3
InChIKeyBPPIVCLGVSESAS-UHFFFAOYSA-N
XLogP0.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3-hydroxy-2-methyl-2H-pyrrol-5-one?
The IUPAC name of 1-acetyl-3-hydroxy-2-methyl-2H-pyrrol-5-one (CID 175114816) is 1-acetyl-3-hydroxy-2-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 1-acetyl-3-hydroxy-2-methyl-2H-pyrrol-5-one?
The canonical SMILES for 1-acetyl-3-hydroxy-2-methyl-2H-pyrrol-5-one is CC(=O)N1C(=O)C=C(O)C1C.
What is the InChIKey of 1-acetyl-3-hydroxy-2-methyl-2H-pyrrol-5-one?
The InChIKey is BPPIVCLGVSESAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-4-6(10)3-7(11)8(4)5(2)9/h3-4,10H,1-2H3.
What are the key properties of 1-acetyl-3-hydroxy-2-methyl-2H-pyrrol-5-one?
1-acetyl-3-hydroxy-2-methyl-2H-pyrrol-5-one has a molecular weight of 155.15 g/mol, XLogP of 0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3-hydroxy-2-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 175114816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).