(2S)-1-acetyl-2-hydroxy-3-methyl-2H-pyrrol-5-one

C7H9NO3 — CID 10606993

IUPAC(2S)-1-acetyl-2-hydroxy-3-methyl-2H-pyrrol-5-one
SMILESCC(=O)N1C(=O)C=C(C)[C@@H]1O
InChIInChI=1S/C7H9NO3/c1-4-3-6(10)8(5(2)9)7(4)11/h3,7,11H,1-2H3/t7-/m0/s1
InChIKeyBNMZVSCLYDXKMQ-ZETCQYMHSA-N
MW155.15 g/mol
LogP-0.36
Rot. Bonds

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

(2S)-1-acetyl-2-hydroxy-3-methyl-2H-pyrrol-5-one (PubChem CID 10606993) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (2S)-1-acetyl-2-hydroxy-3-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2S)-1-acetyl-2-hydroxy-3-methyl-2H-pyrrol-5-one
PubChem CID10606993
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(2S)-1-acetyl-2-hydroxy-3-methyl-2H-pyrrol-5-one
SMILESCC(=O)N1C(=O)C=C(C)[C@@H]1O
InChIInChI=1S/C7H9NO3/c1-4-3-6(10)8(5(2)9)7(4)11/h3,7,11H,1-2H3/t7-/m0/s1
InChIKeyBNMZVSCLYDXKMQ-ZETCQYMHSA-N
XLogP-0.36
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 ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-acetyl-2-hydroxy-2H-pyrrol-5-one
CID 10898807
2-hydroxy-1,3,4-trimethyl-2H-pyrrol-5-one
CID 138965474
2-hydroxy-4-methyl-1-(2,2,2-trifluoroethyl)-2H-pyrrol-5-one
CID 118342014
2-hydroxy-1-methyl-3-(trifluoromethyl)-2H-pyrrol-5-one
CID 147205791
tert-butyl 2-hydroxy-3-methyl-5-oxo-2H-pyrrole-1-carboxylate
CID 129986891
1-butyl-5-hydroxy-3,4-dimethyl-1,5-dihydro-2H-pyrrol-2-one
CID 5038937
2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one
CID 10942654
2-hydroxy-4-methyl-5-oxo-2H-pyrrole-1-carbaldehyde
CID 13250058
1-(2-Hydroxyethyl)-3-methyl-1H-pyrrole-2,5-dione
CID 17962376
1-(3-Hydroxypropyl)-3-methylpyrrole-2,5-dione
CID 61206770
1-ethyl-2-hydroxy-2H-pyrrol-5-one
CID 68342716
2-hydroxy-1-(methoxymethyl)-4-methyl-2H-pyrrol-5-one
CID 90374988

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-2-hydroxy-3-methyl-2H-pyrrol-5-one?
The IUPAC name of (2S)-1-acetyl-2-hydroxy-3-methyl-2H-pyrrol-5-one (CID 10606993) is (2S)-1-acetyl-2-hydroxy-3-methyl-2H-pyrrol-5-one.
What is the SMILES notation for (2S)-1-acetyl-2-hydroxy-3-methyl-2H-pyrrol-5-one?
The canonical SMILES for (2S)-1-acetyl-2-hydroxy-3-methyl-2H-pyrrol-5-one is CC(=O)N1C(=O)C=C(C)[C@@H]1O.
What is the InChIKey of (2S)-1-acetyl-2-hydroxy-3-methyl-2H-pyrrol-5-one?
The InChIKey is BNMZVSCLYDXKMQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H9NO3/c1-4-3-6(10)8(5(2)9)7(4)11/h3,7,11H,1-2H3/t7-/m0/s1.
What are the key properties of (2S)-1-acetyl-2-hydroxy-3-methyl-2H-pyrrol-5-one?
(2S)-1-acetyl-2-hydroxy-3-methyl-2H-pyrrol-5-one has a molecular weight of 155.15 g/mol, XLogP of -0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-2-hydroxy-3-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 10606993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).