2-cyanoethyl dihydrogen phosphite

C3H6NO3P — CID 14354114

IUPAC2-cyanoethyl dihydrogen phosphite
SMILESN#CCCOP(O)O
InChIInChI=1S/C3H6NO3P/c4-2-1-3-7-8(5)6/h5-6H,1,3H2
InChIKeyARVQIYGIIOWVCP-UHFFFAOYSA-N
MW135.06 g/mol
LogP0.13
Rot. Bonds3

About 2-cyanoethyl dihydrogen phosphite

2-cyanoethyl dihydrogen phosphite (PubChem CID 14354114) has the molecular formula C3H6NO3P and a molecular weight of 135.06 g/mol. Its IUPAC name is 2-cyanoethyl dihydrogen phosphite.

Molecular Properties

Compound Name2-cyanoethyl dihydrogen phosphite
PubChem CID14354114
Molecular FormulaC3H6NO3P
Molecular Weight135.06 g/mol
Exact Mass135.01
IUPAC Name2-cyanoethyl dihydrogen phosphite
SMILESN#CCCOP(O)O
InChIInChI=1S/C3H6NO3P/c4-2-1-3-7-8(5)6/h5-6H,1,3H2
InChIKeyARVQIYGIIOWVCP-UHFFFAOYSA-N
XLogP0.13
TPSA73.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.06
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-Cyanoethyl dihydrogen phosphate
CID 78715
2-Cyanoethyl diphosphate
CID 46236602
2-Cyanoethoxyphosphonamidous acid
CID 18624438
2-Cyanoethoxy(fluoro)phosphinous acid
CID 53667520
3-[Difluoro(dihydroxy)-lambda5-phosphanyl]oxypropanenitrile
CID 155355939
2-Cyanoethyl difluoro phosphite
CID 155355940
2-Cyanoethoxy(fluoro)phosphinic acid
CID 175605230
2-Cyanoethyl fluoro hydrogen phosphate
CID 175605231
2-Cyanoethoxy-hydroxy-oxophosphanium
CID 10920557
Bis(2-cyanoethyl) hydrogen phosphite
CID 11652393
3-Dihydroxyphosphinothioyloxypropanenitrile
CID 14504105
Barium 2-cyanoethylphosphate hydrate
CID 16211285

Frequently Asked Questions

What is the IUPAC name of 2-cyanoethyl dihydrogen phosphite?
The IUPAC name of 2-cyanoethyl dihydrogen phosphite (CID 14354114) is 2-cyanoethyl dihydrogen phosphite.
What is the SMILES notation for 2-cyanoethyl dihydrogen phosphite?
The canonical SMILES for 2-cyanoethyl dihydrogen phosphite is N#CCCOP(O)O.
What is the InChIKey of 2-cyanoethyl dihydrogen phosphite?
The InChIKey is ARVQIYGIIOWVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6NO3P/c4-2-1-3-7-8(5)6/h5-6H,1,3H2.
What are the key properties of 2-cyanoethyl dihydrogen phosphite?
2-cyanoethyl dihydrogen phosphite has a molecular weight of 135.06 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethyl dihydrogen phosphite is sourced from PubChem (CID 14354114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).