4-amino-1-(3-phenylphenyl)pyrrolidin-2-one

C16H16N2O — CID 168700983

IUPAC4-amino-1-(3-phenylphenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C16H16N2O/c17-14-10-16(19)18(11-14)15-8-4-7-13(9-15)12-5-2-1-3-6-12/h1-9,14H,10-11,17H2
InChIKeyONSVSHDFZAZACC-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.42
Rot. Bonds2

About 4-amino-1-(3-phenylphenyl)pyrrolidin-2-one

4-amino-1-(3-phenylphenyl)pyrrolidin-2-one (PubChem CID 168700983) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-amino-1-(3-phenylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(3-phenylphenyl)pyrrolidin-2-one
PubChem CID168700983
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-amino-1-(3-phenylphenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2cccc(-c3ccccc3)c2)C1
InChIInChI=1S/C16H16N2O/c17-14-10-16(19)18(11-14)15-8-4-7-13(9-15)12-5-2-1-3-6-12/h1-9,14H,10-11,17H2
InChIKeyONSVSHDFZAZACC-UHFFFAOYSA-N
XLogP2.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-(3-bromophenyl)pyrrolidin-2-one
CID 43521015
(4R)-4-amino-1-(3-fluorophenyl)pyrrolidin-2-one
CID 26365707
4-amino-1-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 168699991
3-(4-amino-2-oxopyrrolidin-1-yl)benzenesulfonic acid
CID 168701174
4-amino-1-[3-(2-phenylethoxy)phenyl]pyrrolidin-2-one
CID 54792612
5-(4-amino-2-oxopyrrolidin-1-yl)-2-phenylpyridazin-3-one
CID 168700057
4-amino-1-(4-benzylphenyl)pyrrolidin-2-one
CID 168701095
4-amino-1-(5-phenyl-2-pyridinyl)pyrrolidin-2-one
CID 168700677
3-(4-amino-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide
CID 168699354
4-amino-1-(3-propoxyphenyl)pyrrolidin-2-one
CID 54792593
4-amino-1-(3,4-difluorophenyl)pyrrolidin-2-one
CID 43521146
4-amino-1-(3,4-dimethylphenyl)pyrrolidin-2-one;hydrochloride
CID 71779044

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-phenylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(3-phenylphenyl)pyrrolidin-2-one (CID 168700983) is 4-amino-1-(3-phenylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(3-phenylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(3-phenylphenyl)pyrrolidin-2-one is NC1CC(=O)N(c2cccc(-c3ccccc3)c2)C1.
What is the InChIKey of 4-amino-1-(3-phenylphenyl)pyrrolidin-2-one?
The InChIKey is ONSVSHDFZAZACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c17-14-10-16(19)18(11-14)15-8-4-7-13(9-15)12-5-2-1-3-6-12/h1-9,14H,10-11,17H2.
What are the key properties of 4-amino-1-(3-phenylphenyl)pyrrolidin-2-one?
4-amino-1-(3-phenylphenyl)pyrrolidin-2-one has a molecular weight of 252.32 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-phenylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168700983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).