Chemical Components in the PDB

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F05 : Summary

Code

F05

One-letter code

X

Molecule name

2H-isoindol-1-amine

Systematic names

ProgramVersionName
ACDLabs 12.01 2H-isoindol-1-amine
OpenEye OEToolkits 1.7.0 2H-isoindol-1-amine

Formula

C8 H8 N2

Formal charge

0

Molecular weight

132.163 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1cccc2c1cnc2N
SMILES CACTVS 3.370 Nc1[nH]cc2ccccc12
SMILES OpenEye OEToolkits 1.7.0 c1ccc2c(c1)c[nH]c2N
Canonical SMILES CACTVS 3.370 Nc1[nH]cc2ccccc12
Canonical SMILES OpenEye OEToolkits 1.7.0 c1ccc2c(c1)c[nH]c2N

IUPAC InChI

InChI=1S/C8H8N2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-5,10H,9H2

IUPAC InChI key

SPSYMWKHDUJABD-UHFFFAOYSA-N
F05

wwPDB Information

Atom count

18 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-11-15

Last modified at

2011-10-14

Status

Released

Obsoleted

Not Assigned