(2E)-1-ethyliminopenta-2,4-dien-2-ol

C7H11NO — CID 126690285

IUPAC(2E)-1-ethyliminopenta-2,4-dien-2-ol
SMILESC=C/C=C(O)\C=N\CC
InChIInChI=1S/C7H11NO/c1-3-5-7(9)6-8-4-2/h3,5-6,9H,1,4H2,2H3/b7-5+,8-6+
InChIKeyLUBAEKBXHUJKGO-KQQUZDAGSA-N
MW125.17 g/mol
LogP1.71
Rot. Bonds3

About (2E)-1-ethyliminopenta-2,4-dien-2-ol

(2E)-1-ethyliminopenta-2,4-dien-2-ol (PubChem CID 126690285) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is (2E)-1-ethyliminopenta-2,4-dien-2-ol.

Molecular Properties

Compound Name(2E)-1-ethyliminopenta-2,4-dien-2-ol
PubChem CID126690285
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name(2E)-1-ethyliminopenta-2,4-dien-2-ol
SMILESC=C/C=C(O)\C=N\CC
InChIInChI=1S/C7H11NO/c1-3-5-7(9)6-8-4-2/h3,5-6,9H,1,4H2,2H3/b7-5+,8-6+
InChIKeyLUBAEKBXHUJKGO-KQQUZDAGSA-N
XLogP1.71
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.71
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-1-ethyliminopenta-2,4-dien-2-ol?
The IUPAC name of (2E)-1-ethyliminopenta-2,4-dien-2-ol (CID 126690285) is (2E)-1-ethyliminopenta-2,4-dien-2-ol.
What is the SMILES notation for (2E)-1-ethyliminopenta-2,4-dien-2-ol?
The canonical SMILES for (2E)-1-ethyliminopenta-2,4-dien-2-ol is C=C/C=C(O)\C=N\CC.
What is the InChIKey of (2E)-1-ethyliminopenta-2,4-dien-2-ol?
The InChIKey is LUBAEKBXHUJKGO-KQQUZDAGSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-5-7(9)6-8-4-2/h3,5-6,9H,1,4H2,2H3/b7-5+,8-6+.
What are the key properties of (2E)-1-ethyliminopenta-2,4-dien-2-ol?
(2E)-1-ethyliminopenta-2,4-dien-2-ol has a molecular weight of 125.17 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-ethyliminopenta-2,4-dien-2-ol is sourced from PubChem (CID 126690285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).