1-acetyl-2-hydroxy-4-phenylpyrrolidin-3-one

C12H13NO3 — CID 15324559

IUPAC1-acetyl-2-hydroxy-4-phenylpyrrolidin-3-one
SMILESCC(=O)N1CC(c2ccccc2)C(=O)C1O
InChIInChI=1S/C12H13NO3/c1-8(14)13-7-10(11(15)12(13)16)9-5-3-2-4-6-9/h2-6,10,12,16H,7H2,1H3
InChIKeyNSUCTKYWNOEMRP-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.52
Rot. Bonds1

About 1-acetyl-2-hydroxy-4-phenylpyrrolidin-3-one

1-acetyl-2-hydroxy-4-phenylpyrrolidin-3-one (PubChem CID 15324559) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-acetyl-2-hydroxy-4-phenylpyrrolidin-3-one.

Molecular Properties

Compound Name1-acetyl-2-hydroxy-4-phenylpyrrolidin-3-one
PubChem CID15324559
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name1-acetyl-2-hydroxy-4-phenylpyrrolidin-3-one
SMILESCC(=O)N1CC(c2ccccc2)C(=O)C1O
InChIInChI=1S/C12H13NO3/c1-8(14)13-7-10(11(15)12(13)16)9-5-3-2-4-6-9/h2-6,10,12,16H,7H2,1H3
InChIKeyNSUCTKYWNOEMRP-UHFFFAOYSA-N
XLogP0.52
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-4-phenylpyrrolidin-1-yl)ethanone
CID 15365754
(3R)-1-acetyl-3-phenylpyrrolidin-2-one
CID 6991154
3-acetyl-5-phenyl-1,3-oxazolidin-2-one
CID 101053098
1-(1-amino-2-phenyl-3-azabicyclo[3.1.0]hexan-3-yl)ethanone
CID 58907313
1-(4-oxo-3-phenylpiperidine-1-carbonyl)-3-phenylpiperidin-4-one
CID 23643625
1-[(2R)-2-phenylaziridin-1-yl]but-2-en-1-one
CID 123139269
1-(4,5-dimethyl-2-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 71394500
methyl 2-oxo-3-phenylcyclopentane-1-carboxylate
CID 22173712
ethyl (3R,5R)-1-methyl-4-oxo-5-phenylpiperidine-3-carboxylate
CID 92859017
1-(4-methylsulfonyl-2-phenylpiperazin-1-yl)ethanone
CID 127244769
2-(2-oxopropyl)-4-phenyloxolan-3-one
CID 102037665
2-acetyl-4-phenyl-3,4-dihydro-2H-naphthalen-1-one
CID 102165445

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2-hydroxy-4-phenylpyrrolidin-3-one?
The IUPAC name of 1-acetyl-2-hydroxy-4-phenylpyrrolidin-3-one (CID 15324559) is 1-acetyl-2-hydroxy-4-phenylpyrrolidin-3-one.
What is the SMILES notation for 1-acetyl-2-hydroxy-4-phenylpyrrolidin-3-one?
The canonical SMILES for 1-acetyl-2-hydroxy-4-phenylpyrrolidin-3-one is CC(=O)N1CC(c2ccccc2)C(=O)C1O.
What is the InChIKey of 1-acetyl-2-hydroxy-4-phenylpyrrolidin-3-one?
The InChIKey is NSUCTKYWNOEMRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-8(14)13-7-10(11(15)12(13)16)9-5-3-2-4-6-9/h2-6,10,12,16H,7H2,1H3.
What are the key properties of 1-acetyl-2-hydroxy-4-phenylpyrrolidin-3-one?
1-acetyl-2-hydroxy-4-phenylpyrrolidin-3-one has a molecular weight of 219.24 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2-hydroxy-4-phenylpyrrolidin-3-one is sourced from PubChem (CID 15324559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).