(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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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).