Chemical Components in the PDB

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CCB : Summary

Code

CCB

One-letter code

X

Molecule name

CYCLOBUTYL(CYCLOPENTYL)FORMAMIDE

Synonyms

N-CYCLOPENTYL-N-CYCLOBUTYLFORMAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-cyclobutyl-N-cyclopentylformamide
OpenEye OEToolkits 1.5.0 N-cyclobutyl-N-cyclopentyl-methanamide

Formula

C10 H17 N O

Formal charge

0

Molecular weight

167.248 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=CN(C1CCC1)C2CCCC2
SMILES CACTVS 3.341 O=CN(C1CCCC1)C2CCC2
SMILES OpenEye OEToolkits 1.5.0 C1CCC(C1)N(C=O)C2CCC2
Canonical SMILES CACTVS 3.341 O=CN(C1CCCC1)C2CCC2
Canonical SMILES OpenEye OEToolkits 1.5.0 C1CCC(C1)N(C=O)C2CCC2

IUPAC InChI

InChI=1S/C10H17NO/c12-8-11(10-6-3-7-10)9-4-1-2-5-9/h8-10H,1-7H2

IUPAC InChI key

DWGVYBRKKSJLNS-UHFFFAOYSA-N
CCB

wwPDB Information

Atom count

29 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-07-26

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned