ethenimine;phosphorous acid

C2H6NO3P — CID 175070200

IUPACethenimine;phosphorous acid
SMILESC=C=N.OP(O)O
InChIInChI=1S/C2H3N.H3O3P/c1-2-3;1-4(2)3/h3H,1H2;1-3H
InChIKeyZXDDMJIGAPZMTJ-UHFFFAOYSA-N
MW123.05 g/mol
LogP-0.39
Rot. Bonds

About ethenimine;phosphorous acid

ethenimine;phosphorous acid (PubChem CID 175070200) has the molecular formula C2H6NO3P and a molecular weight of 123.05 g/mol. Its IUPAC name is ethenimine;phosphorous acid.

Molecular Properties

Compound Nameethenimine;phosphorous acid
PubChem CID175070200
Molecular FormulaC2H6NO3P
Molecular Weight123.05 g/mol
Exact Mass123.01
IUPAC Nameethenimine;phosphorous acid
SMILESC=C=N.OP(O)O
InChIInChI=1S/C2H3N.H3O3P/c1-2-3;1-4(2)3/h3H,1H2;1-3H
InChIKeyZXDDMJIGAPZMTJ-UHFFFAOYSA-N
XLogP-0.39
TPSA84.54 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.05
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenimine;phosphorous acid?
The IUPAC name of ethenimine;phosphorous acid (CID 175070200) is ethenimine;phosphorous acid.
What is the SMILES notation for ethenimine;phosphorous acid?
The canonical SMILES for ethenimine;phosphorous acid is C=C=N.OP(O)O.
What is the InChIKey of ethenimine;phosphorous acid?
The InChIKey is ZXDDMJIGAPZMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3N.H3O3P/c1-2-3;1-4(2)3/h3H,1H2;1-3H.
What are the key properties of ethenimine;phosphorous acid?
ethenimine;phosphorous acid has a molecular weight of 123.05 g/mol, XLogP of -0.39, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenimine;phosphorous acid is sourced from PubChem (CID 175070200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).