bis(2-cyanoethyl)-oxophosphanium

C6H8N2OP+ — CID 6335209

IUPACbis(2-cyanoethyl)-oxophosphanium
SMILESN#CCC[P+](=O)CCC#N
InChIInChI=1S/C6H8N2OP/c7-3-1-5-10(9)6-2-4-8/h1-2,5-6H2/q+1
InChIKeyDSIQDXZNQNRKSD-UHFFFAOYSA-N
MW155.12 g/mol
LogP1.64
Rot. Bonds4

About bis(2-cyanoethyl)-oxophosphanium

bis(2-cyanoethyl)-oxophosphanium (PubChem CID 6335209) has the molecular formula C6H8N2OP+ and a molecular weight of 155.12 g/mol. Its IUPAC name is bis(2-cyanoethyl)-oxophosphanium.

Molecular Properties

Compound Namebis(2-cyanoethyl)-oxophosphanium
PubChem CID6335209
Molecular FormulaC6H8N2OP+
Molecular Weight155.12 g/mol
Exact Mass155.04
IUPAC Namebis(2-cyanoethyl)-oxophosphanium
SMILESN#CCC[P+](=O)CCC#N
InChIInChI=1S/C6H8N2OP/c7-3-1-5-10(9)6-2-4-8/h1-2,5-6H2/q+1
InChIKeyDSIQDXZNQNRKSD-UHFFFAOYSA-N
XLogP1.64
TPSA64.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-cyanoethyl)-oxophosphanium?
The IUPAC name of bis(2-cyanoethyl)-oxophosphanium (CID 6335209) is bis(2-cyanoethyl)-oxophosphanium.
What is the SMILES notation for bis(2-cyanoethyl)-oxophosphanium?
The canonical SMILES for bis(2-cyanoethyl)-oxophosphanium is N#CCC[P+](=O)CCC#N.
What is the InChIKey of bis(2-cyanoethyl)-oxophosphanium?
The InChIKey is DSIQDXZNQNRKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OP/c7-3-1-5-10(9)6-2-4-8/h1-2,5-6H2/q+1.
What are the key properties of bis(2-cyanoethyl)-oxophosphanium?
bis(2-cyanoethyl)-oxophosphanium has a molecular weight of 155.12 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-cyanoethyl)-oxophosphanium is sourced from PubChem (CID 6335209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).