Chemical Components in the PDB

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RGU : Summary

Code

RGU

One-letter code

X

Molecule name

(3~{a}~{R})-2,3,3~{a},4-tetrahydropyrrolo[1,2-a]indol-1-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 3.1.0.0 (3~{a}~{R})-2,3,3~{a},4-tetrahydropyrrolo[1,2-a]indol-1-one

Formula

C11 H11 N O

Formal charge

0

Molecular weight

173.211 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O=C1CC[CH]2Cc3ccccc3N12
SMILES OpenEye OEToolkits 3.1.0.0 c1ccc2c(c1)CC3N2C(=O)CC3
Canonical SMILES CACTVS 3.385 O=C1CC[C@@H]2Cc3ccccc3N12
Canonical SMILES OpenEye OEToolkits 3.1.0.0 c1ccc2c(c1)C[C@@H]3N2C(=O)CC3

IUPAC InChI

InChI=1S/C11H11NO/c13-11-6-5-9-7-8-3-1-2-4-10(8)12(9)11/h1-4,9H,5-7H2/t9-/m1/s1

IUPAC InChI key

QPPMCKRHXDXQPA-SECBINFHSA-N
RGU

wwPDB Information

Atom count

24 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-11-30

Last modified at

2022-12-09

Status

Released

Obsoleted

Not Assigned