2-[[(E)-2-hydroxyethenyl]amino]ethanol

C4H9NO2 — CID 101275158

IUPAC2-[[(E)-2-hydroxyethenyl]amino]ethanol
SMILESO/C=C/NCCO
InChIInChI=1S/C4H9NO2/c6-3-1-5-2-4-7/h1,3,5-7H,2,4H2/b3-1+
InChIKeyRUJDYELJSUFNMP-HNQUOIGGSA-N
MW103.12 g/mol
LogP-0.40
Rot. Bonds3

About 2-[[(E)-2-hydroxyethenyl]amino]ethanol

2-[[(E)-2-hydroxyethenyl]amino]ethanol (PubChem CID 101275158) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is 2-[[(E)-2-hydroxyethenyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(E)-2-hydroxyethenyl]amino]ethanol
PubChem CID101275158
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name2-[[(E)-2-hydroxyethenyl]amino]ethanol
SMILESO/C=C/NCCO
InChIInChI=1S/C4H9NO2/c6-3-1-5-2-4-7/h1,3,5-7H,2,4H2/b3-1+
InChIKeyRUJDYELJSUFNMP-HNQUOIGGSA-N
XLogP-0.40
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-hydroxyethenyl]amino]ethanol?
The IUPAC name of 2-[[(E)-2-hydroxyethenyl]amino]ethanol (CID 101275158) is 2-[[(E)-2-hydroxyethenyl]amino]ethanol.
What is the SMILES notation for 2-[[(E)-2-hydroxyethenyl]amino]ethanol?
The canonical SMILES for 2-[[(E)-2-hydroxyethenyl]amino]ethanol is O/C=C/NCCO.
What is the InChIKey of 2-[[(E)-2-hydroxyethenyl]amino]ethanol?
The InChIKey is RUJDYELJSUFNMP-HNQUOIGGSA-N. The full InChI is InChI=1S/C4H9NO2/c6-3-1-5-2-4-7/h1,3,5-7H,2,4H2/b3-1+.
What are the key properties of 2-[[(E)-2-hydroxyethenyl]amino]ethanol?
2-[[(E)-2-hydroxyethenyl]amino]ethanol has a molecular weight of 103.12 g/mol, XLogP of -0.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-hydroxyethenyl]amino]ethanol is sourced from PubChem (CID 101275158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).