1-methyl-1-phosphorosourea

C2H5N2O2P — CID 152798970

IUPAC1-methyl-1-phosphorosourea
SMILESCN(P=O)C(N)=O
InChIInChI=1S/C2H5N2O2P/c1-4(7-6)2(3)5/h1H3,(H2,3,5)
InChIKeySMZPMXANHYNMSX-UHFFFAOYSA-N
MW120.05 g/mol
LogP0.20
Rot. Bonds1

About 1-methyl-1-phosphorosourea

1-methyl-1-phosphorosourea (PubChem CID 152798970) has the molecular formula C2H5N2O2P and a molecular weight of 120.05 g/mol. Its IUPAC name is 1-methyl-1-phosphorosourea.

Molecular Properties

Compound Name1-methyl-1-phosphorosourea
PubChem CID152798970
Molecular FormulaC2H5N2O2P
Molecular Weight120.05 g/mol
Exact Mass120.01
IUPAC Name1-methyl-1-phosphorosourea
SMILESCN(P=O)C(N)=O
InChIInChI=1S/C2H5N2O2P/c1-4(7-6)2(3)5/h1H3,(H2,3,5)
InChIKeySMZPMXANHYNMSX-UHFFFAOYSA-N
XLogP0.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.05
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-1-phosphorosourea 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-1-phosphorosourea?
The IUPAC name of 1-methyl-1-phosphorosourea (CID 152798970) is 1-methyl-1-phosphorosourea.
What is the SMILES notation for 1-methyl-1-phosphorosourea?
The canonical SMILES for 1-methyl-1-phosphorosourea is CN(P=O)C(N)=O.
What is the InChIKey of 1-methyl-1-phosphorosourea?
The InChIKey is SMZPMXANHYNMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N2O2P/c1-4(7-6)2(3)5/h1H3,(H2,3,5).
What are the key properties of 1-methyl-1-phosphorosourea?
1-methyl-1-phosphorosourea has a molecular weight of 120.05 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-phosphorosourea is sourced from PubChem (CID 152798970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).