2-cyanoethoxy-hydroxy-oxophosphanium

C3H5NO3P+ — CID 10920557

IUPAC2-cyanoethoxy-hydroxy-oxophosphanium
SMILESN#CCCO[P+](=O)O
InChIInChI=1S/C3H4NO3P/c4-2-1-3-7-8(5)6/h1,3H2/p+1
InChIKeyGCEAOTDZXFRRHC-UHFFFAOYSA-O
MW134.05 g/mol
LogP0.57
Rot. Bonds3

About 2-cyanoethoxy-hydroxy-oxophosphanium

2-cyanoethoxy-hydroxy-oxophosphanium (PubChem CID 10920557) has the molecular formula C3H5NO3P+ and a molecular weight of 134.05 g/mol. Its IUPAC name is 2-cyanoethoxy-hydroxy-oxophosphanium.

Molecular Properties

Compound Name2-cyanoethoxy-hydroxy-oxophosphanium
PubChem CID10920557
Molecular FormulaC3H5NO3P+
Molecular Weight134.05 g/mol
Exact Mass134.00
IUPAC Name2-cyanoethoxy-hydroxy-oxophosphanium
SMILESN#CCCO[P+](=O)O
InChIInChI=1S/C3H4NO3P/c4-2-1-3-7-8(5)6/h1,3H2/p+1
InChIKeyGCEAOTDZXFRRHC-UHFFFAOYSA-O
XLogP0.57
TPSA70.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.05
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyanoethoxy-hydroxy-oxophosphanium?
The IUPAC name of 2-cyanoethoxy-hydroxy-oxophosphanium (CID 10920557) is 2-cyanoethoxy-hydroxy-oxophosphanium.
What is the SMILES notation for 2-cyanoethoxy-hydroxy-oxophosphanium?
The canonical SMILES for 2-cyanoethoxy-hydroxy-oxophosphanium is N#CCCO[P+](=O)O.
What is the InChIKey of 2-cyanoethoxy-hydroxy-oxophosphanium?
The InChIKey is GCEAOTDZXFRRHC-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H4NO3P/c4-2-1-3-7-8(5)6/h1,3H2/p+1.
What are the key properties of 2-cyanoethoxy-hydroxy-oxophosphanium?
2-cyanoethoxy-hydroxy-oxophosphanium has a molecular weight of 134.05 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethoxy-hydroxy-oxophosphanium is sourced from PubChem (CID 10920557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).