Chemical Components in the PDB

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1HC : Summary

Code

1HC

One-letter code

X

Molecule name

prop-2-enamide

Systematic names

ProgramVersionName
ACDLabs 12.01 prop-2-enamide
OpenEye OEToolkits 1.7.6 prop-2-enamide

Formula

C3 H5 N O

Formal charge

0

Molecular weight

71.078 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(\C=C)N
SMILES CACTVS 3.370 NC(=O)C=C
SMILES OpenEye OEToolkits 1.7.6 C=CC(=O)N
Canonical SMILES CACTVS 3.370 NC(=O)C=C
Canonical SMILES OpenEye OEToolkits 1.7.6 C=CC(=O)N

IUPAC InChI

InChI=1S/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)

IUPAC InChI key

HRPVXLWXLXDGHG-UHFFFAOYSA-N
1HC

wwPDB Information

Atom count

10 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-02-04

Last modified at

2014-02-07

Status

Released

Obsoleted

Not Assigned