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

C11H10N2O3 — CID 7235878

IUPAC(2S)-3-acetyl-4-hydroxy-2-pyridin-3-yl-1,2-dihydropyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N[C@H]1c1cccnc1
InChIInChI=1S/C11H10N2O3/c1-6(14)8-9(13-11(16)10(8)15)7-3-2-4-12-5-7/h2-5,9,15H,1H3,(H,13,16)/t9-/m0/s1
InChIKeyWGBQZOSUOZFPAO-VIFPVBQESA-N
MW218.21 g/mol
LogP0.65
Rot. Bonds2

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

(2S)-3-acetyl-4-hydroxy-2-pyridin-3-yl-1,2-dihydropyrrol-5-one (PubChem CID 7235878) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is (2S)-3-acetyl-4-hydroxy-2-pyridin-3-yl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2S)-3-acetyl-4-hydroxy-2-pyridin-3-yl-1,2-dihydropyrrol-5-one
PubChem CID7235878
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name(2S)-3-acetyl-4-hydroxy-2-pyridin-3-yl-1,2-dihydropyrrol-5-one
SMILESCC(=O)C1=C(O)C(=O)N[C@H]1c1cccnc1
InChIInChI=1S/C11H10N2O3/c1-6(14)8-9(13-11(16)10(8)15)7-3-2-4-12-5-7/h2-5,9,15H,1H3,(H,13,16)/t9-/m0/s1
InChIKeyWGBQZOSUOZFPAO-VIFPVBQESA-N
XLogP0.65
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methyl-4-pyridin-3-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl)ethanone
CID 45066470
4-fluoro-3-pyridin-3-yl-2,3-dihydroisoindol-1-one
CID 139404653
1-(4-pyridin-3-ylpiperidin-1-yl)ethanone
CID 129301457
acetic acid;3-piperidin-2-ylpyridine
CID 175134059
4-pyridin-3-yl-4,5-dihydrothieno[2,3-c]pyrrol-6-one
CID 139404509
3-acetyl-1-benzyl-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 3151830
3-(4-methylphenyl)-4-pyridin-3-yl-4,5-dihydro-1H-pyrrolo[3,4-d]pyrazol-6-one
CID 5303728
3-acetyl-4-hydroxy-1-(2-piperidin-1-ylethyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 75792679
3-acetyl-4-hydroxy-1-octyl-2-pyridin-3-yl-2H-pyrrol-5-one
CID 3589786
ethyl (6S)-3,4-dimethyl-2-oxo-6-pyridin-3-yl-1,6-dihydropyrimidine-5-carboxylate
CID 40553101
cis-(2S,4S)-2-acetyl-4-pyridin-3-ylcyclohexan-1-one
CID 129387672
(2S,3R)-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 67757979

Frequently Asked Questions

What is the IUPAC name of (2S)-3-acetyl-4-hydroxy-2-pyridin-3-yl-1,2-dihydropyrrol-5-one?
The IUPAC name of (2S)-3-acetyl-4-hydroxy-2-pyridin-3-yl-1,2-dihydropyrrol-5-one (CID 7235878) is (2S)-3-acetyl-4-hydroxy-2-pyridin-3-yl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2S)-3-acetyl-4-hydroxy-2-pyridin-3-yl-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2S)-3-acetyl-4-hydroxy-2-pyridin-3-yl-1,2-dihydropyrrol-5-one is CC(=O)C1=C(O)C(=O)N[C@H]1c1cccnc1.
What is the InChIKey of (2S)-3-acetyl-4-hydroxy-2-pyridin-3-yl-1,2-dihydropyrrol-5-one?
The InChIKey is WGBQZOSUOZFPAO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H10N2O3/c1-6(14)8-9(13-11(16)10(8)15)7-3-2-4-12-5-7/h2-5,9,15H,1H3,(H,13,16)/t9-/m0/s1.
What are the key properties of (2S)-3-acetyl-4-hydroxy-2-pyridin-3-yl-1,2-dihydropyrrol-5-one?
(2S)-3-acetyl-4-hydroxy-2-pyridin-3-yl-1,2-dihydropyrrol-5-one has a molecular weight of 218.21 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-acetyl-4-hydroxy-2-pyridin-3-yl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 7235878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).