4-amino-1-benzyl-5-phenylpyrrolidin-2-one

C17H18N2O — CID 83693774

IUPAC4-amino-1-benzyl-5-phenylpyrrolidin-2-one
SMILESNC1CC(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C17H18N2O/c18-15-11-16(20)19(12-13-7-3-1-4-8-13)17(15)14-9-5-2-6-10-14/h1-10,15,17H,11-12,18H2
InChIKeyVEIZXGJUNRHTAV-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.49
Rot. Bonds3

About 4-amino-1-benzyl-5-phenylpyrrolidin-2-one

4-amino-1-benzyl-5-phenylpyrrolidin-2-one (PubChem CID 83693774) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-amino-1-benzyl-5-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-benzyl-5-phenylpyrrolidin-2-one
PubChem CID83693774
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-amino-1-benzyl-5-phenylpyrrolidin-2-one
SMILESNC1CC(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C17H18N2O/c18-15-11-16(20)19(12-13-7-3-1-4-8-13)17(15)14-9-5-2-6-10-14/h1-10,15,17H,11-12,18H2
InChIKeyVEIZXGJUNRHTAV-UHFFFAOYSA-N
XLogP2.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 4025878
(1R,2R,6S)-3-benzyl-2-phenyl-7-oxa-3-azabicyclo[4.1.0]heptan-4-one
CID 101377362
(2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
CID 7784530
(3S,4S)-3-amino-1-benzyl-4-phenylazetidin-2-one
CID 40999549
1-benzyl-4-phenylazetidin-2-one;ethane
CID 91301101
(4R)-1-benzyl-4-(hydroxymethyl)azetidin-2-one
CID 10856298
(2R,3S)-4-benzyl-5-oxo-3-phenylmorpholine-2-carboxylic acid
CID 164663630
ethyl 1-benzyl-2-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 102275849
(4S)-1,3-dibenzyl-4-phenylazetidin-2-one
CID 58632784
(2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide
CID 101404403
(4S,5S)-1,3-dibenzyl-4,5-diphenylimidazolidine-2-thione
CID 24767043
benzyl 1-benzyl-4-oxoazetidine-2-carboxylate
CID 14759715

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-benzyl-5-phenylpyrrolidin-2-one?
The IUPAC name of 4-amino-1-benzyl-5-phenylpyrrolidin-2-one (CID 83693774) is 4-amino-1-benzyl-5-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-benzyl-5-phenylpyrrolidin-2-one?
The canonical SMILES for 4-amino-1-benzyl-5-phenylpyrrolidin-2-one is NC1CC(=O)N(Cc2ccccc2)C1c1ccccc1.
What is the InChIKey of 4-amino-1-benzyl-5-phenylpyrrolidin-2-one?
The InChIKey is VEIZXGJUNRHTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-15-11-16(20)19(12-13-7-3-1-4-8-13)17(15)14-9-5-2-6-10-14/h1-10,15,17H,11-12,18H2.
What are the key properties of 4-amino-1-benzyl-5-phenylpyrrolidin-2-one?
4-amino-1-benzyl-5-phenylpyrrolidin-2-one has a molecular weight of 266.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-benzyl-5-phenylpyrrolidin-2-one is sourced from PubChem (CID 83693774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).