methane;phosphane;diisocyanate

C3H7N2O2P-2 — CID 21425418

IUPACmethane;phosphane;diisocyanate
SMILESC.P.[N-]=C=O.[N-]=C=O
InChIInChI=1S/2CNO.CH4.H3P/c2*2-1-3;;/h;;1H4;1H3/q2*-1;;
InChIKeyQNCMMQNBNOUSOF-UHFFFAOYSA-N
MW134.07 g/mol
LogP0.48
Rot. Bonds

About methane;phosphane;diisocyanate

methane;phosphane;diisocyanate (PubChem CID 21425418) has the molecular formula C3H7N2O2P-2 and a molecular weight of 134.07 g/mol. Its IUPAC name is methane;phosphane;diisocyanate.

Molecular Properties

Compound Namemethane;phosphane;diisocyanate
PubChem CID21425418
Molecular FormulaC3H7N2O2P-2
Molecular Weight134.07 g/mol
Exact Mass134.03
IUPAC Namemethane;phosphane;diisocyanate
SMILESC.P.[N-]=C=O.[N-]=C=O
InChIInChI=1S/2CNO.CH4.H3P/c2*2-1-3;;/h;;1H4;1H3/q2*-1;;
InChIKeyQNCMMQNBNOUSOF-UHFFFAOYSA-N
XLogP0.48
TPSA78.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.07
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze methane;phosphane;diisocyanate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methane;phosphane;diisocyanate?
The IUPAC name of methane;phosphane;diisocyanate (CID 21425418) is methane;phosphane;diisocyanate.
What is the SMILES notation for methane;phosphane;diisocyanate?
The canonical SMILES for methane;phosphane;diisocyanate is C.P.[N-]=C=O.[N-]=C=O.
What is the InChIKey of methane;phosphane;diisocyanate?
The InChIKey is QNCMMQNBNOUSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/2CNO.CH4.H3P/c2*2-1-3;;/h;;1H4;1H3/q2*-1;;.
What are the key properties of methane;phosphane;diisocyanate?
methane;phosphane;diisocyanate has a molecular weight of 134.07 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;phosphane;diisocyanate is sourced from PubChem (CID 21425418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).