Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

ZV7 : Summary

Code

ZV7

One-letter code

X

Molecule name

2-chloro-N-(3-oxopropyl)acetohydrazide

Systematic names

ProgramVersionName
ACDLabs 12.01 2-chloro-N-(3-oxopropyl)acetohydrazide
OpenEye OEToolkits 2.0.7 2-chloranyl-~{N}-(3-oxidanylidenepropyl)ethanehydrazide

Formula

C5 H9 Cl N2 O2

Formal charge

0

Molecular weight

164.59 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 ClCC(=O)N(N)CCC=O
SMILES CACTVS 3.385 NN(CCC=O)C(=O)CCl
SMILES OpenEye OEToolkits 2.0.7 C(CN(C(=O)CCl)N)C=O
Canonical SMILES CACTVS 3.385 NN(CCC=O)C(=O)CCl
Canonical SMILES OpenEye OEToolkits 2.0.7 C(CN(C(=O)CCl)N)C=O

IUPAC InChI

InChI=1S/C5H9ClN2O2/c6-4-5(10)8(7)2-1-3-9/h3H,1-2,4,7H2

IUPAC InChI key

QFHNLZAUZFBCAM-UHFFFAOYSA-N
ZV7

wwPDB Information

Atom count

19 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-04-06

Last modified at

2024-03-29

Status

Released

Obsoleted

Not Assigned