Chemical Components in the PDB

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KK0 : Summary

Code

KK0

One-letter code

X

Molecule name

(5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (5~{S})-5-(4-chlorophenyl)pyrrolidin-2-one

Formula

C10 H10 Cl N O

Formal charge

0

Molecular weight

195.645 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Clc1ccc(cc1)[CH]2CCC(=O)N2
SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1C2CCC(=O)N2)Cl
Canonical SMILES CACTVS 3.385 Clc1ccc(cc1)[C@@H]2CCC(=O)N2
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1[C@@H]2CCC(=O)N2)Cl

IUPAC InChI

InChI=1S/C10H10ClNO/c11-8-3-1-7(2-4-8)9-5-6-10(13)12-9/h1-4,9H,5-6H2,(H,12,13)/t9-/m0/s1

IUPAC InChI key

BSYBLMDNOUEPRW-VIFPVBQESA-N
KK0

wwPDB Information

Atom count

23 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-05-26

Last modified at

2022-09-16

Status

Released

Obsoleted

Not Assigned