Chemical Components in the PDB

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CNH : Summary

Code

CNH

One-letter code

X

Molecule name

2-HYDROXY-2-METHYLPROPANENITRILE

Synonyms

ACETONE CYANOHYDRIN

Systematic names

ProgramVersionName
ACDLabs 10.04 2-hydroxy-2-methylpropanenitrile
OpenEye OEToolkits 1.5.0 2-hydroxy-2-methyl-propanenitrile

Formula

C4 H7 N O

Formal charge

0

Molecular weight

85.104 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 N#CC(O)(C)C
SMILES CACTVS 3.341 CC(C)(O)C#N
SMILES OpenEye OEToolkits 1.5.0 CC(C)(C#N)O
Canonical SMILES CACTVS 3.341 CC(C)(O)C#N
Canonical SMILES OpenEye OEToolkits 1.5.0 CC(C)(C#N)O

IUPAC InChI

InChI=1S/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3

IUPAC InChI key

MWFMGBPGAXYFAR-UHFFFAOYSA-N
CNH

wwPDB Information

Atom count

13 (6 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2000-09-20

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned