(2Z)-2-dichlorophosphorylimino-1-methylimidazolidin-4-one

C4H6Cl2N3O2P — CID 135743637

IUPAC(2Z)-2-dichlorophosphorylimino-1-methylimidazolidin-4-one
SMILESCN1CC(=O)N/C1=N/P(=O)(Cl)Cl
InChIInChI=1S/C4H6Cl2N3O2P/c1-9-2-3(10)7-4(9)8-12(5,6)11/h2H2,1H3,(H,7,8,10,11)
InChIKeyLLAFVXRGNOJWJX-UHFFFAOYSA-N
MW229.99 g/mol
LogP0.99
Rot. Bonds1

About (2Z)-2-dichlorophosphorylimino-1-methylimidazolidin-4-one

(2Z)-2-dichlorophosphorylimino-1-methylimidazolidin-4-one (PubChem CID 135743637) has the molecular formula C4H6Cl2N3O2P and a molecular weight of 229.99 g/mol. Its IUPAC name is (2Z)-2-dichlorophosphorylimino-1-methylimidazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-dichlorophosphorylimino-1-methylimidazolidin-4-one
PubChem CID135743637
Molecular FormulaC4H6Cl2N3O2P
Molecular Weight229.99 g/mol
Exact Mass228.96
IUPAC Name(2Z)-2-dichlorophosphorylimino-1-methylimidazolidin-4-one
SMILESCN1CC(=O)N/C1=N/P(=O)(Cl)Cl
InChIInChI=1S/C4H6Cl2N3O2P/c1-9-2-3(10)7-4(9)8-12(5,6)11/h2H2,1H3,(H,7,8,10,11)
InChIKeyLLAFVXRGNOJWJX-UHFFFAOYSA-N
XLogP0.99
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.99
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-dichlorophosphorylimino-1-methylimidazolidin-4-one?
The IUPAC name of (2Z)-2-dichlorophosphorylimino-1-methylimidazolidin-4-one (CID 135743637) is (2Z)-2-dichlorophosphorylimino-1-methylimidazolidin-4-one.
What is the SMILES notation for (2Z)-2-dichlorophosphorylimino-1-methylimidazolidin-4-one?
The canonical SMILES for (2Z)-2-dichlorophosphorylimino-1-methylimidazolidin-4-one is CN1CC(=O)N/C1=N/P(=O)(Cl)Cl.
What is the InChIKey of (2Z)-2-dichlorophosphorylimino-1-methylimidazolidin-4-one?
The InChIKey is LLAFVXRGNOJWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl2N3O2P/c1-9-2-3(10)7-4(9)8-12(5,6)11/h2H2,1H3,(H,7,8,10,11).
What are the key properties of (2Z)-2-dichlorophosphorylimino-1-methylimidazolidin-4-one?
(2Z)-2-dichlorophosphorylimino-1-methylimidazolidin-4-one has a molecular weight of 229.99 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-dichlorophosphorylimino-1-methylimidazolidin-4-one is sourced from PubChem (CID 135743637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).