4-amino-1-(4-benzylphenyl)pyrrolidin-2-one

C17H18N2O — CID 168701095

IUPAC4-amino-1-(4-benzylphenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccc(Cc3ccccc3)cc2)C1
InChIInChI=1S/C17H18N2O/c18-15-11-17(20)19(12-15)16-8-6-14(7-9-16)10-13-4-2-1-3-5-13/h1-9,15H,10-12,18H2
InChIKeyUWPXAFOKUHRYOC-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.34
Rot. Bonds3

About 4-amino-1-(4-benzylphenyl)pyrrolidin-2-one

4-amino-1-(4-benzylphenyl)pyrrolidin-2-one (PubChem CID 168701095) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-amino-1-(4-benzylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(4-benzylphenyl)pyrrolidin-2-one
PubChem CID168701095
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name4-amino-1-(4-benzylphenyl)pyrrolidin-2-one
SMILESNC1CC(=O)N(c2ccc(Cc3ccccc3)cc2)C1
InChIInChI=1S/C17H18N2O/c18-15-11-17(20)19(12-15)16-8-6-14(7-9-16)10-13-4-2-1-3-5-13/h1-9,15H,10-12,18H2
InChIKeyUWPXAFOKUHRYOC-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-[4-(3-phenylpropoxy)phenyl]pyrrolidin-2-one
CID 54792619
4-amino-1-[4-[(dimethylamino)methyl]phenyl]pyrrolidin-2-one
CID 168699360
4-amino-1-[4-(2-methylpropyl)phenyl]pyrrolidin-2-one
CID 82495819
(4S)-4-amino-1-[4-[2-(3-fluorophenyl)ethyl]phenyl]pyrrolidin-2-one
CID 68614864
4-amino-1-(4-chlorophenyl)pyrrolidin-2-one;hydrochloride
CID 53433785
S-[1-(4-benzylphenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168707172
4-amino-1-(3-phenylphenyl)pyrrolidin-2-one
CID 168700983
4-amino-1-[3-(2-phenylethoxy)phenyl]pyrrolidin-2-one
CID 54792612
4-amino-1-(4-pyrrolidin-1-ylphenyl)pyrrolidin-2-one;dihydrochloride
CID 138958614
4-amino-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 43521061
4-amino-1-[4-[(4-fluorophenyl)methoxy]phenyl]pyrrolidin-2-one
CID 68614609
1-[4-[(4-aminophenyl)methyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168698337

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-benzylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(4-benzylphenyl)pyrrolidin-2-one (CID 168701095) is 4-amino-1-(4-benzylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(4-benzylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(4-benzylphenyl)pyrrolidin-2-one is NC1CC(=O)N(c2ccc(Cc3ccccc3)cc2)C1.
What is the InChIKey of 4-amino-1-(4-benzylphenyl)pyrrolidin-2-one?
The InChIKey is UWPXAFOKUHRYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c18-15-11-17(20)19(12-15)16-8-6-14(7-9-16)10-13-4-2-1-3-5-13/h1-9,15H,10-12,18H2.
What are the key properties of 4-amino-1-(4-benzylphenyl)pyrrolidin-2-one?
4-amino-1-(4-benzylphenyl)pyrrolidin-2-one has a molecular weight of 266.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-benzylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168701095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).