3-methylimidazolidine-2,4-dione;molecular hydrogen

C4H8N2O2 — CID 165132558

IUPAC3-methylimidazolidine-2,4-dione;molecular hydrogen
SMILESCN1C(=O)CNC1=O.[H][H]
InChIInChI=1S/C4H6N2O2.H2/c1-6-3(7)2-5-4(6)8;/h2H2,1H3,(H,5,8);1H
InChIKeyXPSUEKBCIFSOOR-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.59
Rot. Bonds

About 3-methylimidazolidine-2,4-dione;molecular hydrogen

3-methylimidazolidine-2,4-dione;molecular hydrogen (PubChem CID 165132558) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 3-methylimidazolidine-2,4-dione;molecular hydrogen.

Molecular Properties

Compound Name3-methylimidazolidine-2,4-dione;molecular hydrogen
PubChem CID165132558
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name3-methylimidazolidine-2,4-dione;molecular hydrogen
SMILESCN1C(=O)CNC1=O.[H][H]
InChIInChI=1S/C4H6N2O2.H2/c1-6-3(7)2-5-4(6)8;/h2H2,1H3,(H,5,8);1H
InChIKeyXPSUEKBCIFSOOR-UHFFFAOYSA-N
XLogP-0.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-methylimidazolidine-2,4-dione;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethyl-1,3,5-triazepane-2,4,6-trione
CID 155106929
3-methylimidazolidine-2,4-dione;toluene
CID 174814099
1-aminocyclohexa-2,4-diene-1-carboxylic acid;3-methylimidazolidine-2,4-dione
CID 70454612
1-deuterio-3-methyl-2-sulfanylideneimidazolidin-4-one
CID 142755261
benzene;3-tert-butylimidazolidine-2,4-dione
CID 70509532
5-bromo-1,7-dimethyl-3,4-dihydroquinoxalin-2-one
CID 84635544
aziridin-2-one
CID 158991665
3-(4-methylpiperazin-1-yl)imidazolidine-2,4-dione
CID 107842329
6-amino-1-methyl-3,4-dihydroquinoxalin-2-one
CID 28693613
7-chloro-1-methyl-3,4-dihydroquinoxalin-2-one
CID 84619430
2,8-dimethyl-5,6-dihydropteridin-7-one
CID 121388812
methyl 4-methyl-3-oxo-1,2-dihydroquinoxaline-6-carboxylate
CID 91671836

Frequently Asked Questions

What is the IUPAC name of 3-methylimidazolidine-2,4-dione;molecular hydrogen?
The IUPAC name of 3-methylimidazolidine-2,4-dione;molecular hydrogen (CID 165132558) is 3-methylimidazolidine-2,4-dione;molecular hydrogen.
What is the SMILES notation for 3-methylimidazolidine-2,4-dione;molecular hydrogen?
The canonical SMILES for 3-methylimidazolidine-2,4-dione;molecular hydrogen is CN1C(=O)CNC1=O.[H][H].
What is the InChIKey of 3-methylimidazolidine-2,4-dione;molecular hydrogen?
The InChIKey is XPSUEKBCIFSOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2.H2/c1-6-3(7)2-5-4(6)8;/h2H2,1H3,(H,5,8);1H.
What are the key properties of 3-methylimidazolidine-2,4-dione;molecular hydrogen?
3-methylimidazolidine-2,4-dione;molecular hydrogen has a molecular weight of 116.12 g/mol, XLogP of -0.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimidazolidine-2,4-dione;molecular hydrogen is sourced from PubChem (CID 165132558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).