Chemical Components in the PDB

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DMF : Summary

Code

DMF

One-letter code

X

Molecule name

DIMETHYLFORMAMIDE

Systematic names

ProgramVersionName
ACDLabs 10.04 N,N-dimethylformamide
OpenEye OEToolkits 1.5.0 N,N-dimethylmethanamide

Formula

C3 H7 N O

Formal charge

0

Molecular weight

73.094 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=CN(C)C
SMILES CACTVS 3.341 CN(C)C=O
SMILES OpenEye OEToolkits 1.5.0 CN(C)C=O
Canonical SMILES CACTVS 3.341 CN(C)C=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CN(C)C=O

IUPAC InChI

InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3

IUPAC InChI key

ZMXDDKWLCZADIW-UHFFFAOYSA-N
DMF

wwPDB Information

Atom count

12 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned