1-[1-hydroxyethenyl(methyl)amino]ethenol

C5H9NO2 — CID 72508075

IUPAC1-[1-hydroxyethenyl(methyl)amino]ethenol
SMILESC=C(O)N(C)C(=C)O
InChIInChI=1S/C5H9NO2/c1-4(7)6(3)5(2)8/h7-8H,1-2H2,3H3
InChIKeyDISGKZRNHDWXID-UHFFFAOYSA-N
MW115.13 g/mol
LogP0.98
Rot. Bonds2

About 1-[1-hydroxyethenyl(methyl)amino]ethenol

1-[1-hydroxyethenyl(methyl)amino]ethenol (PubChem CID 72508075) has the molecular formula C5H9NO2 and a molecular weight of 115.13 g/mol. Its IUPAC name is 1-[1-hydroxyethenyl(methyl)amino]ethenol.

Molecular Properties

Compound Name1-[1-hydroxyethenyl(methyl)amino]ethenol
PubChem CID72508075
Molecular FormulaC5H9NO2
Molecular Weight115.13 g/mol
Exact Mass115.06
IUPAC Name1-[1-hydroxyethenyl(methyl)amino]ethenol
SMILESC=C(O)N(C)C(=C)O
InChIInChI=1S/C5H9NO2/c1-4(7)6(3)5(2)8/h7-8H,1-2H2,3H3
InChIKeyDISGKZRNHDWXID-UHFFFAOYSA-N
XLogP0.98
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.13
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-hydroxyethenyl(methyl)amino]ethenol?
The IUPAC name of 1-[1-hydroxyethenyl(methyl)amino]ethenol (CID 72508075) is 1-[1-hydroxyethenyl(methyl)amino]ethenol.
What is the SMILES notation for 1-[1-hydroxyethenyl(methyl)amino]ethenol?
The canonical SMILES for 1-[1-hydroxyethenyl(methyl)amino]ethenol is C=C(O)N(C)C(=C)O.
What is the InChIKey of 1-[1-hydroxyethenyl(methyl)amino]ethenol?
The InChIKey is DISGKZRNHDWXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2/c1-4(7)6(3)5(2)8/h7-8H,1-2H2,3H3.
What are the key properties of 1-[1-hydroxyethenyl(methyl)amino]ethenol?
1-[1-hydroxyethenyl(methyl)amino]ethenol has a molecular weight of 115.13 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-hydroxyethenyl(methyl)amino]ethenol is sourced from PubChem (CID 72508075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).