1-[2-(benzylamino)phenyl]pyrrolidin-2-one

C17H18N2O — CID 28682033

IUPAC1-[2-(benzylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccccc1NCc1ccccc1
InChIInChI=1S/C17H18N2O/c20-17-11-6-12-19(17)16-10-5-4-9-15(16)18-13-14-7-2-1-3-8-14/h1-5,7-10,18H,6,11-13H2
InChIKeyLLJYFXOSVYJJHN-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.43
Rot. Bonds4

About 1-[2-(benzylamino)phenyl]pyrrolidin-2-one

1-[2-(benzylamino)phenyl]pyrrolidin-2-one (PubChem CID 28682033) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-(benzylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(benzylamino)phenyl]pyrrolidin-2-one
PubChem CID28682033
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-[2-(benzylamino)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccccc1NCc1ccccc1
InChIInChI=1S/C17H18N2O/c20-17-11-6-12-19(17)16-10-5-4-9-15(16)18-13-14-7-2-1-3-8-14/h1-5,7-10,18H,6,11-13H2
InChIKeyLLJYFXOSVYJJHN-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(4-chlorophenyl)methylamino]phenyl]pyrrolidin-2-one
CID 41395637
1-[2-(thiophen-3-ylmethylamino)phenyl]pyrrolidin-2-one
CID 28682000
1-[2-(pyridin-2-ylmethylamino)phenyl]pyrrolidin-2-one
CID 28682039
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]pyrrolidin-2-one
CID 31984142
1-[2-(4-methylsulfanylbutylamino)phenyl]pyrrolidin-2-one
CID 103087296
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-phenoxyacetamide
CID 17462839
N-[2-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
CID 60675578
1-[2-[[2-(aminomethyl)-3-methylbutyl]amino]phenyl]pyrrolidin-2-one
CID 107441227
N-(2,6-dimethylphenyl)-2-[2-(2-oxopyrrolidin-1-yl)anilino]acetamide
CID 17491113
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26955686
1-[2-[(7-bromo-2-oxochromen-4-yl)methylamino]phenyl]pyrrolidin-2-one
CID 78827001
N-[2-(2-oxopyrrolidin-1-yl)phenyl]cyclopropanecarboxamide
CID 18166596

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(benzylamino)phenyl]pyrrolidin-2-one (CID 28682033) is 1-[2-(benzylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(benzylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(benzylamino)phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccccc1NCc1ccccc1.
What is the InChIKey of 1-[2-(benzylamino)phenyl]pyrrolidin-2-one?
The InChIKey is LLJYFXOSVYJJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-17-11-6-12-19(17)16-10-5-4-9-15(16)18-13-14-7-2-1-3-8-14/h1-5,7-10,18H,6,11-13H2.
What are the key properties of 1-[2-(benzylamino)phenyl]pyrrolidin-2-one?
1-[2-(benzylamino)phenyl]pyrrolidin-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 28682033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).