Chemical Components in the PDB

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66Z : Summary

Code

66Z

One-letter code

X

Molecule name

(1~{S},4~{R})-3-azabicyclo[2.2.1]hept-5-en-2-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 (1~{S},4~{R})-3-azabicyclo[2.2.1]hept-5-en-2-one

Formula

C6 H7 N O

Formal charge

0

Molecular weight

109.126 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O=C1N[CH]2C[CH]1C=C2
SMILES OpenEye OEToolkits 2.0.4 C1C2C=CC1NC2=O
Canonical SMILES CACTVS 3.385 O=C1N[C@@H]2C[C@H]1C=C2
Canonical SMILES OpenEye OEToolkits 2.0.4 C1[C@H]2C=C[C@@H]1NC2=O

IUPAC InChI

InChI=1S/C6H7NO/c8-6-4-1-2-5(3-4)7-6/h1-2,4-5H,3H2,(H,7,8)/t4-,5+/m1/s1

IUPAC InChI key

DDUFYKNOXPZZIW-UHNVWZDZSA-N
66Z

wwPDB Information

Atom count

15 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2016-02-10

Last modified at

2017-01-26

Status

Released

Obsoleted

Not Assigned