2-cyanoethoxy-hydroxy-dioxidophosphanium

C3H5NO4P- — CID 86622672

IUPAC2-cyanoethoxy-hydroxy-dioxidophosphanium
SMILESN#CCCO[P+]([O-])([O-])O
InChIInChI=1S/C3H6NO4P/c4-2-1-3-8-9(5,6)7/h1,3H2,(H2,5,6,7)/p-1
InChIKeyNJDPBWLDVFCXNP-UHFFFAOYSA-M
MW150.05 g/mol
LogP-1.69
Rot. Bonds3

About 2-cyanoethoxy-hydroxy-dioxidophosphanium

2-cyanoethoxy-hydroxy-dioxidophosphanium (PubChem CID 86622672) has the molecular formula C3H5NO4P- and a molecular weight of 150.05 g/mol. Its IUPAC name is 2-cyanoethoxy-hydroxy-dioxidophosphanium.

Molecular Properties

Compound Name2-cyanoethoxy-hydroxy-dioxidophosphanium
PubChem CID86622672
Molecular FormulaC3H5NO4P-
Molecular Weight150.05 g/mol
Exact Mass150.00
IUPAC Name2-cyanoethoxy-hydroxy-dioxidophosphanium
SMILESN#CCCO[P+]([O-])([O-])O
InChIInChI=1S/C3H6NO4P/c4-2-1-3-8-9(5,6)7/h1,3H2,(H2,5,6,7)/p-1
InChIKeyNJDPBWLDVFCXNP-UHFFFAOYSA-M
XLogP-1.69
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.05
LogP ≤ 5-1.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cyanoethoxy-[di(propan-2-yl)amino]-dihydroxyphosphanium
CID 57227834
3-(1-bromoethoxy)propanenitrile
CID 151174182
3-[2-[2-[2-[2-(2-cyanoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]propanenitrile
CID 13446505
4-hydroperoxybutanenitrile
CID 56625619
bis(2-cyanoethoxy)-iodo-[(2-methylpropan-2-yl)oxy]phosphanium
CID 102317880
3-[2-hydroxy-3-(2-hydroxy-3-methoxypropoxy)propoxy]propanenitrile
CID 177118275
3-(hydroxyamino)oxypropanenitrile
CID 156648374
3-methoxypropanenitrile
CID 161061289
3-[1-(2-cyanoethoxy)ethoxy]propanenitrile;3-methoxypropanenitrile
CID 86745402
3-(1,2,3-trifluoropropoxy)propanenitrile
CID 175462226
3-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexoxy]propanenitrile
CID 20747913
6-(2-cyanoethoxy)hexanenitrile
CID 142730413

Frequently Asked Questions

What is the IUPAC name of 2-cyanoethoxy-hydroxy-dioxidophosphanium?
The IUPAC name of 2-cyanoethoxy-hydroxy-dioxidophosphanium (CID 86622672) is 2-cyanoethoxy-hydroxy-dioxidophosphanium.
What is the SMILES notation for 2-cyanoethoxy-hydroxy-dioxidophosphanium?
The canonical SMILES for 2-cyanoethoxy-hydroxy-dioxidophosphanium is N#CCCO[P+]([O-])([O-])O.
What is the InChIKey of 2-cyanoethoxy-hydroxy-dioxidophosphanium?
The InChIKey is NJDPBWLDVFCXNP-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H6NO4P/c4-2-1-3-8-9(5,6)7/h1,3H2,(H2,5,6,7)/p-1.
What are the key properties of 2-cyanoethoxy-hydroxy-dioxidophosphanium?
2-cyanoethoxy-hydroxy-dioxidophosphanium has a molecular weight of 150.05 g/mol, XLogP of -1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethoxy-hydroxy-dioxidophosphanium is sourced from PubChem (CID 86622672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).