Chemical Components in the PDB

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ZVB : Summary

Code

ZVB

One-letter code

X

Molecule name

2-(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine

Systematic names

ProgramVersionName
ACDLabs 12.01 2-(propan-2-yl)-1H-pyrrolo[3,2-b]pyridine
OpenEye OEToolkits 2.0.7 2-propan-2-yl-1~{H}-pyrrolo[3,2-b]pyridine

Formula

C10 H12 N2

Formal charge

0

Molecular weight

160.216 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 CC(C)c1cc2ncccc2[NH]1
SMILES CACTVS 3.385 CC(C)c1[nH]c2cccnc2c1
SMILES OpenEye OEToolkits 2.0.7 CC(C)c1cc2c([nH]1)cccn2
Canonical SMILES CACTVS 3.385 CC(C)c1[nH]c2cccnc2c1
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(C)c1cc2c([nH]1)cccn2

IUPAC InChI

InChI=1S/C10H12N2/c1-7(2)9-6-10-8(12-9)4-3-5-11-10/h3-7,12H,1-2H3

IUPAC InChI key

OKEHFANNANVSEO-UHFFFAOYSA-N
ZVB

wwPDB Information

Atom count

24 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-07-05

Last modified at

2023-07-21

Status

Released

Obsoleted

Not Assigned