(3S,5R)-3-amino-5-phenylpyrrolidin-2-one

C10H12N2O — CID 99646622

IUPAC(3S,5R)-3-amino-5-phenylpyrrolidin-2-one
SMILESN[C@H]1C[C@H](c2ccccc2)NC1=O
InChIInChI=1S/C10H12N2O/c11-8-6-9(12-10(8)13)7-4-2-1-3-5-7/h1-5,8-9H,6,11H2,(H,12,13)/t8-,9+/m0/s1
InChIKeyYUAIBONXJFEOMP-DTWKUNHWSA-N
MW176.22 g/mol
LogP0.57
Rot. Bonds1

About (3S,5R)-3-amino-5-phenylpyrrolidin-2-one

(3S,5R)-3-amino-5-phenylpyrrolidin-2-one (PubChem CID 99646622) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (3S,5R)-3-amino-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S,5R)-3-amino-5-phenylpyrrolidin-2-one
PubChem CID99646622
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(3S,5R)-3-amino-5-phenylpyrrolidin-2-one
SMILESN[C@H]1C[C@H](c2ccccc2)NC1=O
InChIInChI=1S/C10H12N2O/c11-8-6-9(12-10(8)13)7-4-2-1-3-5-7/h1-5,8-9H,6,11H2,(H,12,13)/t8-,9+/m0/s1
InChIKeyYUAIBONXJFEOMP-DTWKUNHWSA-N
XLogP0.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-methyl-5-phenylpyrrolidin-2-one
CID 155223213
2-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 73425029
2-[(3S,5S)-2-oxo-5-phenylpyrrolidin-3-yl]isoindole-1,3-dione
CID 142755205
3-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-2,7-naphthyridin-1-one
CID 78174694
N-(2-oxo-5-phenylpyrrolidin-3-yl)methanesulfonamide
CID 142244117
(3R,6S)-3,6-diphenylpiperazine-2,5-dione
CID 11323083
2,8-diphenyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 150516028
2-oxo-6-phenylpiperidine-3-carboxylic acid
CID 71651347
(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one
CID 89246042
(4R,6S)-6-methyl-4-phenyl-1,3-oxazinan-2-one
CID 131000813
2-phenyl-2,3-dihydro-1H-pyridin-6-one
CID 10035072
(2R)-6-bromo-8-fluoro-2-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 59777719

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-3-amino-5-phenylpyrrolidin-2-one?
The IUPAC name of (3S,5R)-3-amino-5-phenylpyrrolidin-2-one (CID 99646622) is (3S,5R)-3-amino-5-phenylpyrrolidin-2-one.
What is the SMILES notation for (3S,5R)-3-amino-5-phenylpyrrolidin-2-one?
The canonical SMILES for (3S,5R)-3-amino-5-phenylpyrrolidin-2-one is N[C@H]1C[C@H](c2ccccc2)NC1=O.
What is the InChIKey of (3S,5R)-3-amino-5-phenylpyrrolidin-2-one?
The InChIKey is YUAIBONXJFEOMP-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H12N2O/c11-8-6-9(12-10(8)13)7-4-2-1-3-5-7/h1-5,8-9H,6,11H2,(H,12,13)/t8-,9+/m0/s1.
What are the key properties of (3S,5R)-3-amino-5-phenylpyrrolidin-2-one?
(3S,5R)-3-amino-5-phenylpyrrolidin-2-one has a molecular weight of 176.22 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-3-amino-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 99646622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).