1-methyl-3-phosphorosoimidazolidin-2-one

C4H7N2O2P — CID 130463904

IUPAC1-methyl-3-phosphorosoimidazolidin-2-one
SMILESCN1CCN(P=O)C1=O
InChIInChI=1S/C4H7N2O2P/c1-5-2-3-6(9-8)4(5)7/h2-3H2,1H3
InChIKeyBRKDVGMYAFYGHG-UHFFFAOYSA-N
MW146.09 g/mol
LogP0.56
Rot. Bonds1

About 1-methyl-3-phosphorosoimidazolidin-2-one

1-methyl-3-phosphorosoimidazolidin-2-one (PubChem CID 130463904) has the molecular formula C4H7N2O2P and a molecular weight of 146.09 g/mol. Its IUPAC name is 1-methyl-3-phosphorosoimidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-phosphorosoimidazolidin-2-one
PubChem CID130463904
Molecular FormulaC4H7N2O2P
Molecular Weight146.09 g/mol
Exact Mass146.02
IUPAC Name1-methyl-3-phosphorosoimidazolidin-2-one
SMILESCN1CCN(P=O)C1=O
InChIInChI=1S/C4H7N2O2P/c1-5-2-3-6(9-8)4(5)7/h2-3H2,1H3
InChIKeyBRKDVGMYAFYGHG-UHFFFAOYSA-N
XLogP0.56
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.09
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-phosphorosoimidazolidin-2-one?
The IUPAC name of 1-methyl-3-phosphorosoimidazolidin-2-one (CID 130463904) is 1-methyl-3-phosphorosoimidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-phosphorosoimidazolidin-2-one?
The canonical SMILES for 1-methyl-3-phosphorosoimidazolidin-2-one is CN1CCN(P=O)C1=O.
What is the InChIKey of 1-methyl-3-phosphorosoimidazolidin-2-one?
The InChIKey is BRKDVGMYAFYGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N2O2P/c1-5-2-3-6(9-8)4(5)7/h2-3H2,1H3.
What are the key properties of 1-methyl-3-phosphorosoimidazolidin-2-one?
1-methyl-3-phosphorosoimidazolidin-2-one has a molecular weight of 146.09 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-phosphorosoimidazolidin-2-one is sourced from PubChem (CID 130463904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).