methylphosphanyl nitrite

CH4NO2P — CID 174971992

IUPACmethylphosphanyl nitrite
SMILESCPON=O
InChIInChI=1S/CH4NO2P/c1-5-4-2-3/h5H,1H3
InChIKeyKSZREFVSXOQMQP-UHFFFAOYSA-N
MW93.02 g/mol
LogP0.91
Rot. Bonds2

About methylphosphanyl nitrite

methylphosphanyl nitrite (PubChem CID 174971992) has the molecular formula CH4NO2P and a molecular weight of 93.02 g/mol. Its IUPAC name is methylphosphanyl nitrite.

Molecular Properties

Compound Namemethylphosphanyl nitrite
PubChem CID174971992
Molecular FormulaCH4NO2P
Molecular Weight93.02 g/mol
Exact Mass93.00
IUPAC Namemethylphosphanyl nitrite
SMILESCPON=O
InChIInChI=1S/CH4NO2P/c1-5-4-2-3/h5H,1H3
InChIKeyKSZREFVSXOQMQP-UHFFFAOYSA-N
XLogP0.91
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.02
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 methylphosphanyl nitrite?
The IUPAC name of methylphosphanyl nitrite (CID 174971992) is methylphosphanyl nitrite.
What is the SMILES notation for methylphosphanyl nitrite?
The canonical SMILES for methylphosphanyl nitrite is CPON=O.
What is the InChIKey of methylphosphanyl nitrite?
The InChIKey is KSZREFVSXOQMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4NO2P/c1-5-4-2-3/h5H,1H3.
What are the key properties of methylphosphanyl nitrite?
methylphosphanyl nitrite has a molecular weight of 93.02 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylphosphanyl nitrite is sourced from PubChem (CID 174971992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).