2-cyanoethoxy-N,N-dimethylphosphonamidous acid

C5H11N2O2P — CID 51346048

IUPAC2-cyanoethoxy-N,N-dimethylphosphonamidous acid
SMILESCN(C)P(O)OCCC#N
InChIInChI=1S/C5H11N2O2P/c1-7(2)10(8)9-5-3-4-6/h8H,3,5H2,1-2H3
InChIKeyIOKVCZLJGWYVCM-UHFFFAOYSA-N
MW162.13 g/mol
LogP0.70
Rot. Bonds4

About 2-cyanoethoxy-N,N-dimethylphosphonamidous acid

2-cyanoethoxy-N,N-dimethylphosphonamidous acid (PubChem CID 51346048) has the molecular formula C5H11N2O2P and a molecular weight of 162.13 g/mol. Its IUPAC name is 2-cyanoethoxy-N,N-dimethylphosphonamidous acid.

Molecular Properties

Compound Name2-cyanoethoxy-N,N-dimethylphosphonamidous acid
PubChem CID51346048
Molecular FormulaC5H11N2O2P
Molecular Weight162.13 g/mol
Exact Mass162.06
IUPAC Name2-cyanoethoxy-N,N-dimethylphosphonamidous acid
SMILESCN(C)P(O)OCCC#N
InChIInChI=1S/C5H11N2O2P/c1-7(2)10(8)9-5-3-4-6/h8H,3,5H2,1-2H3
InChIKeyIOKVCZLJGWYVCM-UHFFFAOYSA-N
XLogP0.70
TPSA56.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.13
LogP ≤ 50.70
H-Bond Donors ≤ 51
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,N-dimethylphosphonamidous acid?
The IUPAC name of 2-cyanoethoxy-N,N-dimethylphosphonamidous acid (CID 51346048) is 2-cyanoethoxy-N,N-dimethylphosphonamidous acid.
What is the SMILES notation for 2-cyanoethoxy-N,N-dimethylphosphonamidous acid?
The canonical SMILES for 2-cyanoethoxy-N,N-dimethylphosphonamidous acid is CN(C)P(O)OCCC#N.
What is the InChIKey of 2-cyanoethoxy-N,N-dimethylphosphonamidous acid?
The InChIKey is IOKVCZLJGWYVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2O2P/c1-7(2)10(8)9-5-3-4-6/h8H,3,5H2,1-2H3.
What are the key properties of 2-cyanoethoxy-N,N-dimethylphosphonamidous acid?
2-cyanoethoxy-N,N-dimethylphosphonamidous acid has a molecular weight of 162.13 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethoxy-N,N-dimethylphosphonamidous acid is sourced from PubChem (CID 51346048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).