(cyanomethylamino)oxy-methoxy-oxophosphanium

C3H6N2O3P+ — CID 57045318

IUPAC(cyanomethylamino)oxy-methoxy-oxophosphanium
SMILESCO[P+](=O)ONCC#N
InChIInChI=1S/C3H6N2O3P/c1-7-9(6)8-5-3-2-4/h5H,3H2,1H3/q+1
InChIKeyNNCVWRWEUNHZPR-UHFFFAOYSA-N
MW149.07 g/mol
LogP0.33
Rot. Bonds4

About (cyanomethylamino)oxy-methoxy-oxophosphanium

(cyanomethylamino)oxy-methoxy-oxophosphanium (PubChem CID 57045318) has the molecular formula C3H6N2O3P+ and a molecular weight of 149.07 g/mol. Its IUPAC name is (cyanomethylamino)oxy-methoxy-oxophosphanium.

Molecular Properties

Compound Name(cyanomethylamino)oxy-methoxy-oxophosphanium
PubChem CID57045318
Molecular FormulaC3H6N2O3P+
Molecular Weight149.07 g/mol
Exact Mass149.01
IUPAC Name(cyanomethylamino)oxy-methoxy-oxophosphanium
SMILESCO[P+](=O)ONCC#N
InChIInChI=1S/C3H6N2O3P/c1-7-9(6)8-5-3-2-4/h5H,3H2,1H3/q+1
InChIKeyNNCVWRWEUNHZPR-UHFFFAOYSA-N
XLogP0.33
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.07
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (cyanomethylamino)oxy-methoxy-oxophosphanium?
The IUPAC name of (cyanomethylamino)oxy-methoxy-oxophosphanium (CID 57045318) is (cyanomethylamino)oxy-methoxy-oxophosphanium.
What is the SMILES notation for (cyanomethylamino)oxy-methoxy-oxophosphanium?
The canonical SMILES for (cyanomethylamino)oxy-methoxy-oxophosphanium is CO[P+](=O)ONCC#N.
What is the InChIKey of (cyanomethylamino)oxy-methoxy-oxophosphanium?
The InChIKey is NNCVWRWEUNHZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2O3P/c1-7-9(6)8-5-3-2-4/h5H,3H2,1H3/q+1.
What are the key properties of (cyanomethylamino)oxy-methoxy-oxophosphanium?
(cyanomethylamino)oxy-methoxy-oxophosphanium has a molecular weight of 149.07 g/mol, XLogP of 0.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (cyanomethylamino)oxy-methoxy-oxophosphanium is sourced from PubChem (CID 57045318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).