2-cyanoethoxy(ethyl)phosphinous acid

C5H10NO2P — CID 90743049

IUPAC2-cyanoethoxy(ethyl)phosphinous acid
SMILESCCP(O)OCCC#N
InChIInChI=1S/C5H10NO2P/c1-2-9(7)8-5-3-4-6/h7H,2-3,5H2,1H3
InChIKeyALMLNWJPVJCYLM-UHFFFAOYSA-N
MW147.11 g/mol
LogP1.24
Rot. Bonds4

About 2-cyanoethoxy(ethyl)phosphinous acid

2-cyanoethoxy(ethyl)phosphinous acid (PubChem CID 90743049) has the molecular formula C5H10NO2P and a molecular weight of 147.11 g/mol. Its IUPAC name is 2-cyanoethoxy(ethyl)phosphinous acid.

Molecular Properties

Compound Name2-cyanoethoxy(ethyl)phosphinous acid
PubChem CID90743049
Molecular FormulaC5H10NO2P
Molecular Weight147.11 g/mol
Exact Mass147.04
IUPAC Name2-cyanoethoxy(ethyl)phosphinous acid
SMILESCCP(O)OCCC#N
InChIInChI=1S/C5H10NO2P/c1-2-9(7)8-5-3-4-6/h7H,2-3,5H2,1H3
InChIKeyALMLNWJPVJCYLM-UHFFFAOYSA-N
XLogP1.24
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.11
LogP ≤ 51.24
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(ethyl)phosphinous acid?
The IUPAC name of 2-cyanoethoxy(ethyl)phosphinous acid (CID 90743049) is 2-cyanoethoxy(ethyl)phosphinous acid.
What is the SMILES notation for 2-cyanoethoxy(ethyl)phosphinous acid?
The canonical SMILES for 2-cyanoethoxy(ethyl)phosphinous acid is CCP(O)OCCC#N.
What is the InChIKey of 2-cyanoethoxy(ethyl)phosphinous acid?
The InChIKey is ALMLNWJPVJCYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10NO2P/c1-2-9(7)8-5-3-4-6/h7H,2-3,5H2,1H3.
What are the key properties of 2-cyanoethoxy(ethyl)phosphinous acid?
2-cyanoethoxy(ethyl)phosphinous acid has a molecular weight of 147.11 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethoxy(ethyl)phosphinous acid is sourced from PubChem (CID 90743049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).