2,2-dicyanoethyl dihydrogen phosphite

C4H5N2O3P — CID 19736862

IUPAC2,2-dicyanoethyl dihydrogen phosphite
SMILESN#CC(C#N)COP(O)O
InChIInChI=1S/C4H5N2O3P/c5-1-4(2-6)3-9-10(7)8/h4,7-8H,3H2
InChIKeyUPZLMFPOTKSRLC-UHFFFAOYSA-N
MW160.07 g/mol
LogP-0.12
Rot. Bonds3

About 2,2-dicyanoethyl dihydrogen phosphite

2,2-dicyanoethyl dihydrogen phosphite (PubChem CID 19736862) has the molecular formula C4H5N2O3P and a molecular weight of 160.07 g/mol. Its IUPAC name is 2,2-dicyanoethyl dihydrogen phosphite.

Molecular Properties

Compound Name2,2-dicyanoethyl dihydrogen phosphite
PubChem CID19736862
Molecular FormulaC4H5N2O3P
Molecular Weight160.07 g/mol
Exact Mass160.00
IUPAC Name2,2-dicyanoethyl dihydrogen phosphite
SMILESN#CC(C#N)COP(O)O
InChIInChI=1S/C4H5N2O3P/c5-1-4(2-6)3-9-10(7)8/h4,7-8H,3H2
InChIKeyUPZLMFPOTKSRLC-UHFFFAOYSA-N
XLogP-0.12
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.07
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dicyanoethyl dihydrogen phosphite?
The IUPAC name of 2,2-dicyanoethyl dihydrogen phosphite (CID 19736862) is 2,2-dicyanoethyl dihydrogen phosphite.
What is the SMILES notation for 2,2-dicyanoethyl dihydrogen phosphite?
The canonical SMILES for 2,2-dicyanoethyl dihydrogen phosphite is N#CC(C#N)COP(O)O.
What is the InChIKey of 2,2-dicyanoethyl dihydrogen phosphite?
The InChIKey is UPZLMFPOTKSRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N2O3P/c5-1-4(2-6)3-9-10(7)8/h4,7-8H,3H2.
What are the key properties of 2,2-dicyanoethyl dihydrogen phosphite?
2,2-dicyanoethyl dihydrogen phosphite has a molecular weight of 160.07 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyanoethyl dihydrogen phosphite is sourced from PubChem (CID 19736862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).