Chemical Components in the PDB

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LC9 : Summary

Code

LC9

One-letter code

X

Molecule name

1H-indol-3-ylmethanamine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 1~{H}-indol-3-ylmethanamine

Formula

C9 H10 N2

Formal charge

0

Molecular weight

146.189 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NCc1c[nH]c2ccccc12
SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)c(c[nH]2)CN
Canonical SMILES CACTVS 3.385 NCc1c[nH]c2ccccc12
Canonical SMILES OpenEye OEToolkits 2.0.7 c1ccc2c(c1)c(c[nH]2)CN

IUPAC InChI

InChI=1S/C9H10N2/c10-5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5,10H2

IUPAC InChI key

JXYGLMATGAAIBU-UHFFFAOYSA-N
LC9

wwPDB Information

Atom count

21 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-06-29

Last modified at

2023-06-30

Status

Released

Obsoleted

Not Assigned