1-methyl-3-phosphorosoimidazolidine-2,4-dione

C4H5N2O3P — CID 130464004

IUPAC1-methyl-3-phosphorosoimidazolidine-2,4-dione
SMILESCN1CC(=O)N(P=O)C1=O
InChIInChI=1S/C4H5N2O3P/c1-5-2-3(7)6(10-9)4(5)8/h2H2,1H3
InChIKeyCVIKMEJKNSWEER-UHFFFAOYSA-N
MW160.07 g/mol
LogP0.09
Rot. Bonds1

About 1-methyl-3-phosphorosoimidazolidine-2,4-dione

1-methyl-3-phosphorosoimidazolidine-2,4-dione (PubChem CID 130464004) has the molecular formula C4H5N2O3P and a molecular weight of 160.07 g/mol. Its IUPAC name is 1-methyl-3-phosphorosoimidazolidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-phosphorosoimidazolidine-2,4-dione
PubChem CID130464004
Molecular FormulaC4H5N2O3P
Molecular Weight160.07 g/mol
Exact Mass160.00
IUPAC Name1-methyl-3-phosphorosoimidazolidine-2,4-dione
SMILESCN1CC(=O)N(P=O)C1=O
InChIInChI=1S/C4H5N2O3P/c1-5-2-3(7)6(10-9)4(5)8/h2H2,1H3
InChIKeyCVIKMEJKNSWEER-UHFFFAOYSA-N
XLogP0.09
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.07
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-methyl-3-phosphorosoimidazolidine-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phosphorosoimidazolidine-2,4-dione?
The IUPAC name of 1-methyl-3-phosphorosoimidazolidine-2,4-dione (CID 130464004) is 1-methyl-3-phosphorosoimidazolidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-phosphorosoimidazolidine-2,4-dione?
The canonical SMILES for 1-methyl-3-phosphorosoimidazolidine-2,4-dione is CN1CC(=O)N(P=O)C1=O.
What is the InChIKey of 1-methyl-3-phosphorosoimidazolidine-2,4-dione?
The InChIKey is CVIKMEJKNSWEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N2O3P/c1-5-2-3(7)6(10-9)4(5)8/h2H2,1H3.
What are the key properties of 1-methyl-3-phosphorosoimidazolidine-2,4-dione?
1-methyl-3-phosphorosoimidazolidine-2,4-dione has a molecular weight of 160.07 g/mol, XLogP of 0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phosphorosoimidazolidine-2,4-dione is sourced from PubChem (CID 130464004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).