[dimethylamino(propoxy)phosphoryl]formonitrile

C6H13N2O2P — CID 519230

IUPAC[dimethylamino(propoxy)phosphoryl]formonitrile
SMILESCCCOP(=O)(C#N)N(C)C
InChIInChI=1S/C6H13N2O2P/c1-4-5-10-11(9,6-7)8(2)3/h4-5H2,1-3H3
InChIKeyZRUXFIZQYXRBHS-UHFFFAOYSA-N
MW176.16 g/mol
LogP1.65
Rot. Bonds4

About [dimethylamino(propoxy)phosphoryl]formonitrile

[dimethylamino(propoxy)phosphoryl]formonitrile (PubChem CID 519230) has the molecular formula C6H13N2O2P and a molecular weight of 176.16 g/mol. Its IUPAC name is [dimethylamino(propoxy)phosphoryl]formonitrile.

Molecular Properties

Compound Name[dimethylamino(propoxy)phosphoryl]formonitrile
PubChem CID519230
Molecular FormulaC6H13N2O2P
Molecular Weight176.16 g/mol
Exact Mass176.07
IUPAC Name[dimethylamino(propoxy)phosphoryl]formonitrile
SMILESCCCOP(=O)(C#N)N(C)C
InChIInChI=1S/C6H13N2O2P/c1-4-5-10-11(9,6-7)8(2)3/h4-5H2,1-3H3
InChIKeyZRUXFIZQYXRBHS-UHFFFAOYSA-N
XLogP1.65
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.16
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [dimethylamino(propoxy)phosphoryl]formonitrile?
The IUPAC name of [dimethylamino(propoxy)phosphoryl]formonitrile (CID 519230) is [dimethylamino(propoxy)phosphoryl]formonitrile.
What is the SMILES notation for [dimethylamino(propoxy)phosphoryl]formonitrile?
The canonical SMILES for [dimethylamino(propoxy)phosphoryl]formonitrile is CCCOP(=O)(C#N)N(C)C.
What is the InChIKey of [dimethylamino(propoxy)phosphoryl]formonitrile?
The InChIKey is ZRUXFIZQYXRBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N2O2P/c1-4-5-10-11(9,6-7)8(2)3/h4-5H2,1-3H3.
What are the key properties of [dimethylamino(propoxy)phosphoryl]formonitrile?
[dimethylamino(propoxy)phosphoryl]formonitrile has a molecular weight of 176.16 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethylamino(propoxy)phosphoryl]formonitrile is sourced from PubChem (CID 519230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).