(E)-1-ethyliminobut-2-en-2-ol

C6H11NO — CID 170789163

IUPAC(E)-1-ethyliminobut-2-en-2-ol
SMILESC/C=C(O)\C=N\CC
InChIInChI=1S/C6H11NO/c1-3-6(8)5-7-4-2/h3,5,8H,4H2,1-2H3/b6-3+,7-5+
InChIKeyKQTIMGAMABJMHM-SNCPXTGUSA-N
MW113.16 g/mol
LogP1.54
Rot. Bonds2

About (E)-1-ethyliminobut-2-en-2-ol

(E)-1-ethyliminobut-2-en-2-ol (PubChem CID 170789163) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (E)-1-ethyliminobut-2-en-2-ol.

Molecular Properties

Compound Name(E)-1-ethyliminobut-2-en-2-ol
PubChem CID170789163
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(E)-1-ethyliminobut-2-en-2-ol
SMILESC/C=C(O)\C=N\CC
InChIInChI=1S/C6H11NO/c1-3-6(8)5-7-4-2/h3,5,8H,4H2,1-2H3/b6-3+,7-5+
InChIKeyKQTIMGAMABJMHM-SNCPXTGUSA-N
XLogP1.54
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-1-ethyliminobut-2-en-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-1-ethyliminobut-2-en-2-ol?
The IUPAC name of (E)-1-ethyliminobut-2-en-2-ol (CID 170789163) is (E)-1-ethyliminobut-2-en-2-ol.
What is the SMILES notation for (E)-1-ethyliminobut-2-en-2-ol?
The canonical SMILES for (E)-1-ethyliminobut-2-en-2-ol is C/C=C(O)\C=N\CC.
What is the InChIKey of (E)-1-ethyliminobut-2-en-2-ol?
The InChIKey is KQTIMGAMABJMHM-SNCPXTGUSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-6(8)5-7-4-2/h3,5,8H,4H2,1-2H3/b6-3+,7-5+.
What are the key properties of (E)-1-ethyliminobut-2-en-2-ol?
(E)-1-ethyliminobut-2-en-2-ol has a molecular weight of 113.16 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethyliminobut-2-en-2-ol is sourced from PubChem (CID 170789163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).