methoxymethoxycyanamide;methoxyphosphane

C4H11N2O3P — CID 90810105

IUPACmethoxymethoxycyanamide;methoxyphosphane
SMILESCOCONC#N.COP
InChIInChI=1S/C3H6N2O2.CH5OP/c1-6-3-7-5-2-4;1-2-3/h5H,3H2,1H3;3H2,1H3
InChIKeyBDJAWHJMPUZPIB-UHFFFAOYSA-N
MW166.12 g/mol
LogP0.02
Rot. Bonds3

About methoxymethoxycyanamide;methoxyphosphane

methoxymethoxycyanamide;methoxyphosphane (PubChem CID 90810105) has the molecular formula C4H11N2O3P and a molecular weight of 166.12 g/mol. Its IUPAC name is methoxymethoxycyanamide;methoxyphosphane.

Molecular Properties

Compound Namemethoxymethoxycyanamide;methoxyphosphane
PubChem CID90810105
Molecular FormulaC4H11N2O3P
Molecular Weight166.12 g/mol
Exact Mass166.05
IUPAC Namemethoxymethoxycyanamide;methoxyphosphane
SMILESCOCONC#N.COP
InChIInChI=1S/C3H6N2O2.CH5OP/c1-6-3-7-5-2-4;1-2-3/h5H,3H2,1H3;3H2,1H3
InChIKeyBDJAWHJMPUZPIB-UHFFFAOYSA-N
XLogP0.02
TPSA63.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methoxymethoxycyanamide;methoxyphosphane?
The IUPAC name of methoxymethoxycyanamide;methoxyphosphane (CID 90810105) is methoxymethoxycyanamide;methoxyphosphane.
What is the SMILES notation for methoxymethoxycyanamide;methoxyphosphane?
The canonical SMILES for methoxymethoxycyanamide;methoxyphosphane is COCONC#N.COP.
What is the InChIKey of methoxymethoxycyanamide;methoxyphosphane?
The InChIKey is BDJAWHJMPUZPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O2.CH5OP/c1-6-3-7-5-2-4;1-2-3/h5H,3H2,1H3;3H2,1H3.
What are the key properties of methoxymethoxycyanamide;methoxyphosphane?
methoxymethoxycyanamide;methoxyphosphane has a molecular weight of 166.12 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethoxycyanamide;methoxyphosphane is sourced from PubChem (CID 90810105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).