2-cyanoethoxyphosphonamidous acid

C3H7N2O2P — CID 18624438

IUPAC2-cyanoethoxyphosphonamidous acid
SMILESN#CCCOP(N)O
InChIInChI=1S/C3H7N2O2P/c4-2-1-3-7-8(5)6/h6H,1,3,5H2
InChIKeyKMEMIMRPZGDOMG-UHFFFAOYSA-N
MW134.08 g/mol
LogP0.09
Rot. Bonds3

About 2-cyanoethoxyphosphonamidous acid

2-cyanoethoxyphosphonamidous acid (PubChem CID 18624438) has the molecular formula C3H7N2O2P and a molecular weight of 134.08 g/mol. Its IUPAC name is 2-cyanoethoxyphosphonamidous acid.

Molecular Properties

Compound Name2-cyanoethoxyphosphonamidous acid
PubChem CID18624438
Molecular FormulaC3H7N2O2P
Molecular Weight134.08 g/mol
Exact Mass134.02
IUPAC Name2-cyanoethoxyphosphonamidous acid
SMILESN#CCCOP(N)O
InChIInChI=1S/C3H7N2O2P/c4-2-1-3-7-8(5)6/h6H,1,3,5H2
InChIKeyKMEMIMRPZGDOMG-UHFFFAOYSA-N
XLogP0.09
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.08
LogP ≤ 50.09
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-cyanoethoxyphosphonamidous acid?
The IUPAC name of 2-cyanoethoxyphosphonamidous acid (CID 18624438) is 2-cyanoethoxyphosphonamidous acid.
What is the SMILES notation for 2-cyanoethoxyphosphonamidous acid?
The canonical SMILES for 2-cyanoethoxyphosphonamidous acid is N#CCCOP(N)O.
What is the InChIKey of 2-cyanoethoxyphosphonamidous acid?
The InChIKey is KMEMIMRPZGDOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N2O2P/c4-2-1-3-7-8(5)6/h6H,1,3,5H2.
What are the key properties of 2-cyanoethoxyphosphonamidous acid?
2-cyanoethoxyphosphonamidous acid has a molecular weight of 134.08 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethoxyphosphonamidous acid is sourced from PubChem (CID 18624438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).