(E)-2-(ethylamino)ethenol

C4H9NO — CID 18688577

IUPAC(E)-2-(ethylamino)ethenol
SMILESCCN/C=C/O
InChIInChI=1S/C4H9NO/c1-2-5-3-4-6/h3-6H,2H2,1H3/b4-3+
InChIKeyRYEUXYHKJDAEJQ-ONEGZZNKSA-N
MW87.12 g/mol
LogP0.63
Rot. Bonds2

About (E)-2-(ethylamino)ethenol

(E)-2-(ethylamino)ethenol (PubChem CID 18688577) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is (E)-2-(ethylamino)ethenol.

Molecular Properties

Compound Name(E)-2-(ethylamino)ethenol
PubChem CID18688577
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name(E)-2-(ethylamino)ethenol
SMILESCCN/C=C/O
InChIInChI=1S/C4H9NO/c1-2-5-3-4-6/h3-6H,2H2,1H3/b4-3+
InChIKeyRYEUXYHKJDAEJQ-ONEGZZNKSA-N
XLogP0.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (E)-2-(ethylamino)ethenol?
The IUPAC name of (E)-2-(ethylamino)ethenol (CID 18688577) is (E)-2-(ethylamino)ethenol.
What is the SMILES notation for (E)-2-(ethylamino)ethenol?
The canonical SMILES for (E)-2-(ethylamino)ethenol is CCN/C=C/O.
What is the InChIKey of (E)-2-(ethylamino)ethenol?
The InChIKey is RYEUXYHKJDAEJQ-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H9NO/c1-2-5-3-4-6/h3-6H,2H2,1H3/b4-3+.
What are the key properties of (E)-2-(ethylamino)ethenol?
(E)-2-(ethylamino)ethenol has a molecular weight of 87.12 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(ethylamino)ethenol is sourced from PubChem (CID 18688577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).