(2S)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one

C12H10ClNO3 — CID 781896

IUPAC(2S)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N[C@@H]1c1ccccc1Cl
InChIInChI=1S/C12H10ClNO3/c1-6(15)9-10(14-12(17)11(9)16)7-4-2-3-5-8(7)13/h2-5,10,16H,1H3,(H,14,17)/t10-/m1/s1
InChIKeyWGDSNJCYWWYCNW-SNVBAGLBSA-N
MW251.67 g/mol
LogP1.91
Rot. Bonds2

About (2S)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one

(2S)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one (PubChem CID 781896) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is (2S)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2S)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one
PubChem CID781896
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name(2S)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N[C@@H]1c1ccccc1Cl
InChIInChI=1S/C12H10ClNO3/c1-6(15)9-10(14-12(17)11(9)16)7-4-2-3-5-8(7)13/h2-5,10,16H,1H3,(H,14,17)/t10-/m1/s1
InChIKeyWGDSNJCYWWYCNW-SNVBAGLBSA-N
XLogP1.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetyl-2-(2-chlorophenyl)-4-hydroxy-2H-furan-5-one
CID 3397271
(6S)-5-acetyl-3-benzyl-6-(2-chlorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one
CID 6990709
(4S)-5-benzoyl-4-(2-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 7798146
(2S)-3-acetyl-4-hydroxy-2-pyridin-3-yl-1,2-dihydropyrrol-5-one
CID 7235878
cyclopentyl 4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2847451
3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1-(2-piperazin-1-ylethyl)-2H-pyrrol-5-one
CID 567242
(4S)-4-(2-chlorophenyl)-N-(2,3-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 989814
(2S)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 780335
(4S)-5-acetyl-4-(2-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 787064
(4R)-4-(2-chlorophenyl)-6-methyl-5-(morpholine-4-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 40563254
2-methylpropyl (4S)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 722624
(2R)-3-acetyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1,2-dihydropyrrol-5-one
CID 7236369

Frequently Asked Questions

What is the IUPAC name of (2S)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one?
The IUPAC name of (2S)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one (CID 781896) is (2S)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2S)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2S)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one is CC(=O)C1=C(O)C(=O)N[C@@H]1c1ccccc1Cl.
What is the InChIKey of (2S)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one?
The InChIKey is WGDSNJCYWWYCNW-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-6(15)9-10(14-12(17)11(9)16)7-4-2-3-5-8(7)13/h2-5,10,16H,1H3,(H,14,17)/t10-/m1/s1.
What are the key properties of (2S)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one?
(2S)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one has a molecular weight of 251.67 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-acetyl-2-(2-chlorophenyl)-4-hydroxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 781896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).