2-[amino(cyanomethoxy)phosphoryl]oxyacetonitrile

C4H6N3O3P — CID 91162752

IUPAC2-[amino(cyanomethoxy)phosphoryl]oxyacetonitrile
SMILESN#CCOP(N)(=O)OCC#N
InChIInChI=1S/C4H6N3O3P/c5-1-3-9-11(7,8)10-4-2-6/h3-4H2,(H2,7,8)
InChIKeyRCVCSYPRBQDYOH-UHFFFAOYSA-N
MW175.08 g/mol
LogP0.13
Rot. Bonds4

About 2-[amino(cyanomethoxy)phosphoryl]oxyacetonitrile

2-[amino(cyanomethoxy)phosphoryl]oxyacetonitrile (PubChem CID 91162752) has the molecular formula C4H6N3O3P and a molecular weight of 175.08 g/mol. Its IUPAC name is 2-[amino(cyanomethoxy)phosphoryl]oxyacetonitrile.

Molecular Properties

Compound Name2-[amino(cyanomethoxy)phosphoryl]oxyacetonitrile
PubChem CID91162752
Molecular FormulaC4H6N3O3P
Molecular Weight175.08 g/mol
Exact Mass175.01
IUPAC Name2-[amino(cyanomethoxy)phosphoryl]oxyacetonitrile
SMILESN#CCOP(N)(=O)OCC#N
InChIInChI=1S/C4H6N3O3P/c5-1-3-9-11(7,8)10-4-2-6/h3-4H2,(H2,7,8)
InChIKeyRCVCSYPRBQDYOH-UHFFFAOYSA-N
XLogP0.13
TPSA109.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.08
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(cyanomethoxy)phosphoryl]oxyacetonitrile?
The IUPAC name of 2-[amino(cyanomethoxy)phosphoryl]oxyacetonitrile (CID 91162752) is 2-[amino(cyanomethoxy)phosphoryl]oxyacetonitrile.
What is the SMILES notation for 2-[amino(cyanomethoxy)phosphoryl]oxyacetonitrile?
The canonical SMILES for 2-[amino(cyanomethoxy)phosphoryl]oxyacetonitrile is N#CCOP(N)(=O)OCC#N.
What is the InChIKey of 2-[amino(cyanomethoxy)phosphoryl]oxyacetonitrile?
The InChIKey is RCVCSYPRBQDYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N3O3P/c5-1-3-9-11(7,8)10-4-2-6/h3-4H2,(H2,7,8).
What are the key properties of 2-[amino(cyanomethoxy)phosphoryl]oxyacetonitrile?
2-[amino(cyanomethoxy)phosphoryl]oxyacetonitrile has a molecular weight of 175.08 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(cyanomethoxy)phosphoryl]oxyacetonitrile is sourced from PubChem (CID 91162752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).