(2E,4Z)-2-ethenyl-3-[(E)-2-methoxyethenyl]hexa-2,4-dien-1-imine

C11H15NO — CID 143895744

IUPAC(2E,4Z)-2-ethenyl-3-[(E)-2-methoxyethenyl]hexa-2,4-dien-1-imine
SMILES[H]/N=C/C(C=C)=C(\C=C/C)/C=C/OC
InChIInChI=1S/C11H15NO/c1-4-6-11(7-8-13-3)10(5-2)9-12/h4-9,12H,2H2,1,3H3/b6-4-,8-7+,11-10+,12-9+
InChIKeyJSGPXJUSNKUESH-JBUQYCKCSA-N
MW177.25 g/mol
LogP2.85
Rot. Bonds5

About (2E,4Z)-2-ethenyl-3-[(E)-2-methoxyethenyl]hexa-2,4-dien-1-imine

(2E,4Z)-2-ethenyl-3-[(E)-2-methoxyethenyl]hexa-2,4-dien-1-imine (PubChem CID 143895744) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (2E,4Z)-2-ethenyl-3-[(E)-2-methoxyethenyl]hexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E,4Z)-2-ethenyl-3-[(E)-2-methoxyethenyl]hexa-2,4-dien-1-imine
PubChem CID143895744
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(2E,4Z)-2-ethenyl-3-[(E)-2-methoxyethenyl]hexa-2,4-dien-1-imine
SMILES[H]/N=C/C(C=C)=C(\C=C/C)/C=C/OC
InChIInChI=1S/C11H15NO/c1-4-6-11(7-8-13-3)10(5-2)9-12/h4-9,12H,2H2,1,3H3/b6-4-,8-7+,11-10+,12-9+
InChIKeyJSGPXJUSNKUESH-JBUQYCKCSA-N
XLogP2.85
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.85
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,4Z)-2-ethenyl-3-[(E)-2-methoxyethenyl]hexa-2,4-dien-1-imine?
The IUPAC name of (2E,4Z)-2-ethenyl-3-[(E)-2-methoxyethenyl]hexa-2,4-dien-1-imine (CID 143895744) is (2E,4Z)-2-ethenyl-3-[(E)-2-methoxyethenyl]hexa-2,4-dien-1-imine.
What is the SMILES notation for (2E,4Z)-2-ethenyl-3-[(E)-2-methoxyethenyl]hexa-2,4-dien-1-imine?
The canonical SMILES for (2E,4Z)-2-ethenyl-3-[(E)-2-methoxyethenyl]hexa-2,4-dien-1-imine is [H]/N=C/C(C=C)=C(\C=C/C)/C=C/OC.
What is the InChIKey of (2E,4Z)-2-ethenyl-3-[(E)-2-methoxyethenyl]hexa-2,4-dien-1-imine?
The InChIKey is JSGPXJUSNKUESH-JBUQYCKCSA-N. The full InChI is InChI=1S/C11H15NO/c1-4-6-11(7-8-13-3)10(5-2)9-12/h4-9,12H,2H2,1,3H3/b6-4-,8-7+,11-10+,12-9+.
What are the key properties of (2E,4Z)-2-ethenyl-3-[(E)-2-methoxyethenyl]hexa-2,4-dien-1-imine?
(2E,4Z)-2-ethenyl-3-[(E)-2-methoxyethenyl]hexa-2,4-dien-1-imine has a molecular weight of 177.25 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-ethenyl-3-[(E)-2-methoxyethenyl]hexa-2,4-dien-1-imine is sourced from PubChem (CID 143895744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).