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

C8H13NO — CID 143895054

IUPAC(2E,4E)-1-ethyliminohexa-2,4-dien-2-ol
SMILESC/C=C/C=C(O)\C=N\CC
InChIInChI=1S/C8H13NO/c1-3-5-6-8(10)7-9-4-2/h3,5-7,10H,4H2,1-2H3/b5-3+,8-6+,9-7+
InChIKeySRYQCJWGOMYXAR-NFGBADIGSA-N
MW139.20 g/mol
LogP2.10
Rot. Bonds3

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

(2E,4E)-1-ethyliminohexa-2,4-dien-2-ol (PubChem CID 143895054) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (2E,4E)-1-ethyliminohexa-2,4-dien-2-ol.

Molecular Properties

Compound Name(2E,4E)-1-ethyliminohexa-2,4-dien-2-ol
PubChem CID143895054
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(2E,4E)-1-ethyliminohexa-2,4-dien-2-ol
SMILESC/C=C/C=C(O)\C=N\CC
InChIInChI=1S/C8H13NO/c1-3-5-6-8(10)7-9-4-2/h3,5-7,10H,4H2,1-2H3/b5-3+,8-6+,9-7+
InChIKeySRYQCJWGOMYXAR-NFGBADIGSA-N
XLogP2.10
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.10
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,4E)-1-ethyliminohexa-2,4-dien-2-ol?
The IUPAC name of (2E,4E)-1-ethyliminohexa-2,4-dien-2-ol (CID 143895054) is (2E,4E)-1-ethyliminohexa-2,4-dien-2-ol.
What is the SMILES notation for (2E,4E)-1-ethyliminohexa-2,4-dien-2-ol?
The canonical SMILES for (2E,4E)-1-ethyliminohexa-2,4-dien-2-ol is C/C=C/C=C(O)\C=N\CC.
What is the InChIKey of (2E,4E)-1-ethyliminohexa-2,4-dien-2-ol?
The InChIKey is SRYQCJWGOMYXAR-NFGBADIGSA-N. The full InChI is InChI=1S/C8H13NO/c1-3-5-6-8(10)7-9-4-2/h3,5-7,10H,4H2,1-2H3/b5-3+,8-6+,9-7+.
What are the key properties of (2E,4E)-1-ethyliminohexa-2,4-dien-2-ol?
(2E,4E)-1-ethyliminohexa-2,4-dien-2-ol has a molecular weight of 139.20 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-1-ethyliminohexa-2,4-dien-2-ol is sourced from PubChem (CID 143895054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).