2-cyanoethoxy-N-methylphosphonamidous acid

C4H9N2O2P — CID 89056446

IUPAC2-cyanoethoxy-N-methylphosphonamidous acid
SMILESCNP(O)OCCC#N
InChIInChI=1S/C4H9N2O2P/c1-6-9(7)8-4-2-3-5/h6-7H,2,4H2,1H3
InChIKeyWPPHLRHYTXJLRT-UHFFFAOYSA-N
MW148.10 g/mol
LogP0.36
Rot. Bonds4

About 2-cyanoethoxy-N-methylphosphonamidous acid

2-cyanoethoxy-N-methylphosphonamidous acid (PubChem CID 89056446) has the molecular formula C4H9N2O2P and a molecular weight of 148.10 g/mol. Its IUPAC name is 2-cyanoethoxy-N-methylphosphonamidous acid.

Molecular Properties

Compound Name2-cyanoethoxy-N-methylphosphonamidous acid
PubChem CID89056446
Molecular FormulaC4H9N2O2P
Molecular Weight148.10 g/mol
Exact Mass148.04
IUPAC Name2-cyanoethoxy-N-methylphosphonamidous acid
SMILESCNP(O)OCCC#N
InChIInChI=1S/C4H9N2O2P/c1-6-9(7)8-4-2-3-5/h6-7H,2,4H2,1H3
InChIKeyWPPHLRHYTXJLRT-UHFFFAOYSA-N
XLogP0.36
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.10
LogP ≤ 50.36
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

3-[Amino(methoxy)phosphanyl]oxypropanenitrile
CID 20723767
(2-Cyanoethoxy)(dimethylamino)phosphinous acid
CID 51346048
Amino-(2-cyanoethyl)-hydroxy-propoxyphosphanium
CID 54527550
Acetonitrile;2-cyanoethoxyphosphonamidous acid
CID 87496735
3-[Ethylamino(methoxy)phosphanyl]oxypropanenitrile
CID 117750206
3-[Chloro(methylamino)phosphanyl]oxypropanenitrile
CID 145649749
3-(Methylaminophosphanyloxy)propanenitrile
CID 148261881
3-[Amino(propoxy)phosphanyl]oxypropanenitrile
CID 154091230
2-Cyanoethoxy-(methylamino)-sulfanylidenephosphanium
CID 156384959
2-cyanoethoxy-N-propan-2-ylphosphonamidous acid
CID 156413210
2-cyanoethoxy-N-ethylphosphonamidous acid
CID 166650067
3-[Methylamino(propan-2-yl)phosphanyl]oxypropanenitrile
CID 170055183

Frequently Asked Questions

What is the IUPAC name of 2-cyanoethoxy-N-methylphosphonamidous acid?
The IUPAC name of 2-cyanoethoxy-N-methylphosphonamidous acid (CID 89056446) is 2-cyanoethoxy-N-methylphosphonamidous acid.
What is the SMILES notation for 2-cyanoethoxy-N-methylphosphonamidous acid?
The canonical SMILES for 2-cyanoethoxy-N-methylphosphonamidous acid is CNP(O)OCCC#N.
What is the InChIKey of 2-cyanoethoxy-N-methylphosphonamidous acid?
The InChIKey is WPPHLRHYTXJLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N2O2P/c1-6-9(7)8-4-2-3-5/h6-7H,2,4H2,1H3.
What are the key properties of 2-cyanoethoxy-N-methylphosphonamidous acid?
2-cyanoethoxy-N-methylphosphonamidous acid has a molecular weight of 148.10 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethoxy-N-methylphosphonamidous acid is sourced from PubChem (CID 89056446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).