propanimidoylphosphonic acid

C3H8NO3P — CID 91928949

IUPACpropanimidoylphosphonic acid
SMILES[H]/N=C(\CC)P(=O)(O)O
InChIInChI=1S/C3H8NO3P/c1-2-3(4)8(5,6)7/h4H,2H2,1H3,(H2,5,6,7)/b4-3+
InChIKeyKYLOWKBMJBRERF-ONEGZZNKSA-N
MW137.08 g/mol
LogP0.55
Rot. Bonds2

About propanimidoylphosphonic acid

propanimidoylphosphonic acid (PubChem CID 91928949) has the molecular formula C3H8NO3P and a molecular weight of 137.08 g/mol. Its IUPAC name is propanimidoylphosphonic acid.

Molecular Properties

Compound Namepropanimidoylphosphonic acid
PubChem CID91928949
Molecular FormulaC3H8NO3P
Molecular Weight137.08 g/mol
Exact Mass137.02
IUPAC Namepropanimidoylphosphonic acid
SMILES[H]/N=C(\CC)P(=O)(O)O
InChIInChI=1S/C3H8NO3P/c1-2-3(4)8(5,6)7/h4H,2H2,1H3,(H2,5,6,7)/b4-3+
InChIKeyKYLOWKBMJBRERF-ONEGZZNKSA-N
XLogP0.55
TPSA81.38 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.08
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-oxopropanimidamide
CID 174117199
1-dimethylphosphanyl-1-iminobutan-2-one
CID 91138970
phosphoric acid;propanamide
CID 175475634
methyl(propyl)phosphinic acid
CID 10992780
diethylphosphinic acid
CID 123698390
ethanethiol;phosphoric acid
CID 175577772
ethylphosphane;phosphoric acid
CID 175495046
ethylphosphonic acid;phosphoric acid
CID 87124135
ethylphosphonic acid;zirconium
CID 161117919
2-iminopentan-3-one;methanol
CID 144635571
1-iminobutan-2-ylphosphonic acid
CID 175269610
[ethoxy-(C-ethoxycarbonimidoyl)amino]phosphonic acid
CID 88779316

Frequently Asked Questions

What is the IUPAC name of propanimidoylphosphonic acid?
The IUPAC name of propanimidoylphosphonic acid (CID 91928949) is propanimidoylphosphonic acid.
What is the SMILES notation for propanimidoylphosphonic acid?
The canonical SMILES for propanimidoylphosphonic acid is [H]/N=C(\CC)P(=O)(O)O.
What is the InChIKey of propanimidoylphosphonic acid?
The InChIKey is KYLOWKBMJBRERF-ONEGZZNKSA-N. The full InChI is InChI=1S/C3H8NO3P/c1-2-3(4)8(5,6)7/h4H,2H2,1H3,(H2,5,6,7)/b4-3+.
What are the key properties of propanimidoylphosphonic acid?
propanimidoylphosphonic acid has a molecular weight of 137.08 g/mol, XLogP of 0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanimidoylphosphonic acid is sourced from PubChem (CID 91928949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).