cyanophosphanium

CH3NP+ — CID 23594344

IUPACcyanophosphanium
SMILESN#C[PH3+]
InChIInChI=1S/CH2NP/c2-1-3/h3H2/p+1
InChIKeyFIRCLRMVJNSQDR-UHFFFAOYSA-O
MW60.02 g/mol
LogP0.07
Rot. Bonds

About cyanophosphanium

cyanophosphanium (PubChem CID 23594344) has the molecular formula CH3NP+ and a molecular weight of 60.02 g/mol. Its IUPAC name is cyanophosphanium.

Molecular Properties

Compound Namecyanophosphanium
PubChem CID23594344
Molecular FormulaCH3NP+
Molecular Weight60.02 g/mol
Exact Mass60.00
IUPAC Namecyanophosphanium
SMILESN#C[PH3+]
InChIInChI=1S/CH2NP/c2-1-3/h3H2/p+1
InChIKeyFIRCLRMVJNSQDR-UHFFFAOYSA-O
XLogP0.07
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50060.02
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloroacetonitrile
CID 11297929
2-hydroxyacetonitrile
CID 169441671
2-stannylacetonitrile
CID 87788415
2-chloroacetonitrile;hydrochloride
CID 172775512
propanenitrile;tungsten
CID 59192338
propanenitrile bromide
CID 19792087
sodium;hydride;propanedinitrile
CID 173234067
formonitrile;propanenitrile
CID 174670578
butane;propanenitrile
CID 174979809
(2S)-2-deuteriopropanenitrile
CID 136728619
henicosanedinitrile
CID 87345062
2-(cyanomethylselanyl)acetonitrile
CID 101262524

Frequently Asked Questions

What is the IUPAC name of cyanophosphanium?
The IUPAC name of cyanophosphanium (CID 23594344) is cyanophosphanium.
What is the SMILES notation for cyanophosphanium?
The canonical SMILES for cyanophosphanium is N#C[PH3+].
What is the InChIKey of cyanophosphanium?
The InChIKey is FIRCLRMVJNSQDR-UHFFFAOYSA-O. The full InChI is InChI=1S/CH2NP/c2-1-3/h3H2/p+1.
What are the key properties of cyanophosphanium?
cyanophosphanium has a molecular weight of 60.02 g/mol, XLogP of 0.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyanophosphanium is sourced from PubChem (CID 23594344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).