2-cyanoethoxy-N-ethylphosphonamidous acid

C5H11N2O2P — CID 166650067

IUPAC2-cyanoethoxy-N-ethylphosphonamidous acid
SMILESCCNP(O)OCCC#N
InChIInChI=1S/C5H11N2O2P/c1-2-7-10(8)9-5-3-4-6/h7-8H,2-3,5H2,1H3
InChIKeyKIOVFUPAVVHNAM-UHFFFAOYSA-N
MW162.13 g/mol
LogP0.75
Rot. Bonds5

About 2-cyanoethoxy-N-ethylphosphonamidous acid

2-cyanoethoxy-N-ethylphosphonamidous acid (PubChem CID 166650067) has the molecular formula C5H11N2O2P and a molecular weight of 162.13 g/mol. Its IUPAC name is 2-cyanoethoxy-N-ethylphosphonamidous acid.

Molecular Properties

Compound Name2-cyanoethoxy-N-ethylphosphonamidous acid
PubChem CID166650067
Molecular FormulaC5H11N2O2P
Molecular Weight162.13 g/mol
Exact Mass162.06
IUPAC Name2-cyanoethoxy-N-ethylphosphonamidous acid
SMILESCCNP(O)OCCC#N
InChIInChI=1S/C5H11N2O2P/c1-2-7-10(8)9-5-3-4-6/h7-8H,2-3,5H2,1H3
InChIKeyKIOVFUPAVVHNAM-UHFFFAOYSA-N
XLogP0.75
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.13
LogP ≤ 50.75
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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Frequently Asked Questions

What is the IUPAC name of 2-cyanoethoxy-N-ethylphosphonamidous acid?
The IUPAC name of 2-cyanoethoxy-N-ethylphosphonamidous acid (CID 166650067) is 2-cyanoethoxy-N-ethylphosphonamidous acid.
What is the SMILES notation for 2-cyanoethoxy-N-ethylphosphonamidous acid?
The canonical SMILES for 2-cyanoethoxy-N-ethylphosphonamidous acid is CCNP(O)OCCC#N.
What is the InChIKey of 2-cyanoethoxy-N-ethylphosphonamidous acid?
The InChIKey is KIOVFUPAVVHNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2O2P/c1-2-7-10(8)9-5-3-4-6/h7-8H,2-3,5H2,1H3.
What are the key properties of 2-cyanoethoxy-N-ethylphosphonamidous acid?
2-cyanoethoxy-N-ethylphosphonamidous acid has a molecular weight of 162.13 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethoxy-N-ethylphosphonamidous acid is sourced from PubChem (CID 166650067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).