ISDA: 7HKA

Atom Indices

Bond Indices

Highlight Substructure

Structural Complex

Chemical ID: A1BC1

IUPAC Name: 1-methylimidazolidine-2,4-dione

Formal Charge: 0

Type: non-polymer

Substructure

Substruture Type: MurckoScaffold

SMILES: O=C1CNC(=O)N1

InChI: InChI=1S/C3H4N2O2/c6-2-1-4-3(7)5-2/h1H2,(H2,4,5,6,7)

InChI Key: WJRBRSLFGCUECM-UHFFFAOYSA-N

Physiochemical Descriptor:

Formula: C4 H6 N2 O2

Molecular weight: 114.103

Hydrogen Bond Acceptor: 2

Hydrogen Bond Donor: 1

Rotatable Bonds: 1

Heavy Atoms: 8

Systematic name

Program	Version	Descriptor
ACDLabs	14.52	1-methylimidazolidine-2,4-dione
OpenEye OEToolkits	3.1.0.0	1-methylimidazolidine-2,4-dione

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=C1NC(=O)CN1C
InChI	InChI	1.06	InChI=1S/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8)
InChIKey	InChI	1.06	RHYBFKMFHLPQPH-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1CC(=O)NC1=O
SMILES	CACTVS	3.385	CN1CC(=O)NC1=O
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	CN1CC(=O)NC1=O
SMILES	OpenEye OEToolkits	3.1.0.0	CN1CC(=O)NC1=O

Chemical Database Mapping