Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

T7Y : Summary

Code

T7Y

One-letter code

X

Molecule name

N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
OpenEye OEToolkits 2.0.7 ~{N}-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide

Formula

C12 H14 N2 O2

Formal charge

0

Molecular weight

218.252 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 N2(c1cccc(c1)NC(C)=O)CCCC2=O
SMILES CACTVS 3.385 CC(=O)Nc1cccc(c1)N2CCCC2=O
SMILES OpenEye OEToolkits 2.0.7 CC(=O)Nc1cccc(c1)N2CCCC2=O
Canonical SMILES CACTVS 3.385 CC(=O)Nc1cccc(c1)N2CCCC2=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)Nc1cccc(c1)N2CCCC2=O

IUPAC InChI

InChI=1S/C12H14N2O2/c1-9(15)13-10-4-2-5-11(8-10)14-7-3-6-12(14)16/h2,4-5,8H,3,6-7H2,1H3,(H,13,15)

IUPAC InChI key

CNXMKORZVSCVGQ-UHFFFAOYSA-N
T7Y

wwPDB Information

Atom count

30 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-16

Last modified at

2020-03-20

Status

Released

Obsoleted

Not Assigned