dilithium;phosphonatoformonitrile

CLi2NO3P — CID 21219680

IUPACdilithium;phosphonatoformonitrile
SMILESN#CP(=O)([O-])[O-].[Li+].[Li+]
InChIInChI=1S/CH2NO3P.2Li/c2-1-6(3,4)5;;/h(H2,3,4,5);;/q;2*+1/p-2
InChIKeyBBEQWMMVPFVUTB-UHFFFAOYSA-L
MW118.87 g/mol
LogP-7.61
Rot. Bonds

About dilithium;phosphonatoformonitrile

dilithium;phosphonatoformonitrile (PubChem CID 21219680) has the molecular formula CLi2NO3P and a molecular weight of 118.87 g/mol. Its IUPAC name is dilithium;phosphonatoformonitrile.

Molecular Properties

Compound Namedilithium;phosphonatoformonitrile
PubChem CID21219680
Molecular FormulaCLi2NO3P
Molecular Weight118.87 g/mol
Exact Mass118.99
IUPAC Namedilithium;phosphonatoformonitrile
SMILESN#CP(=O)([O-])[O-].[Li+].[Li+]
InChIInChI=1S/CH2NO3P.2Li/c2-1-6(3,4)5;;/h(H2,3,4,5);;/q;2*+1/p-2
InChIKeyBBEQWMMVPFVUTB-UHFFFAOYSA-L
XLogP-7.61
TPSA86.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.87
LogP ≤ 5-7.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

potassium cyano(hydroxy)phosphinate
CID 23678116
cyanophosphonic acid;phosphonatoformonitrile;bis(triethylazanium)
CID 158186964
phosphate octahydrate
CID 22485829
tripotassium;acetonitrile;phosphate
CID 162129988
lithium;dihydrogen phosphate;dihydrate
CID 162740177
lithium;dihydrogen phosphate;hydrate
CID 162740181
sodium;acetonitrile;hydron;phosphate
CID 173290031
[cyanato(cyano)phosphoryl] cyanate
CID 151662498
lithium;hafnium(4+);phosphate
CID 21452102
octacalcium;phosphate;pentahydrate
CID 22051766
trilithium;iron(3+);diphosphate
CID 102600810
lithium;germanium(4+);phosphate
CID 91868528

Frequently Asked Questions

What is the IUPAC name of dilithium;phosphonatoformonitrile?
The IUPAC name of dilithium;phosphonatoformonitrile (CID 21219680) is dilithium;phosphonatoformonitrile.
What is the SMILES notation for dilithium;phosphonatoformonitrile?
The canonical SMILES for dilithium;phosphonatoformonitrile is N#CP(=O)([O-])[O-].[Li+].[Li+].
What is the InChIKey of dilithium;phosphonatoformonitrile?
The InChIKey is BBEQWMMVPFVUTB-UHFFFAOYSA-L. The full InChI is InChI=1S/CH2NO3P.2Li/c2-1-6(3,4)5;;/h(H2,3,4,5);;/q;2*+1/p-2.
What are the key properties of dilithium;phosphonatoformonitrile?
dilithium;phosphonatoformonitrile has a molecular weight of 118.87 g/mol, XLogP of -7.61, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;phosphonatoformonitrile is sourced from PubChem (CID 21219680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).