(E,3Z,5Z)-N-ethoxy-2-methylidenehepta-3,5-dien-1-imine

C10H15NO — CID 89197940

IUPAC(E,3Z,5Z)-N-ethoxy-2-methylidenehepta-3,5-dien-1-imine
SMILESC=C(/C=C\C=C/C)/C=N/OCC
InChIInChI=1S/C10H15NO/c1-4-6-7-8-10(3)9-11-12-5-2/h4,6-9H,3,5H2,1-2H3/b6-4-,8-7-,11-9+
InChIKeyZAJOJRKGFHCBJS-ULXCIBROSA-N
MW165.24 g/mol
LogP2.70
Rot. Bonds5

About (E,3Z,5Z)-N-ethoxy-2-methylidenehepta-3,5-dien-1-imine

(E,3Z,5Z)-N-ethoxy-2-methylidenehepta-3,5-dien-1-imine (PubChem CID 89197940) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (E,3Z,5Z)-N-ethoxy-2-methylidenehepta-3,5-dien-1-imine.

Molecular Properties

Compound Name(E,3Z,5Z)-N-ethoxy-2-methylidenehepta-3,5-dien-1-imine
PubChem CID89197940
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(E,3Z,5Z)-N-ethoxy-2-methylidenehepta-3,5-dien-1-imine
SMILESC=C(/C=C\C=C/C)/C=N/OCC
InChIInChI=1S/C10H15NO/c1-4-6-7-8-10(3)9-11-12-5-2/h4,6-9H,3,5H2,1-2H3/b6-4-,8-7-,11-9+
InChIKeyZAJOJRKGFHCBJS-ULXCIBROSA-N
XLogP2.70
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,3Z,5Z)-N-ethoxy-2-methylidenehepta-3,5-dien-1-imine?
The IUPAC name of (E,3Z,5Z)-N-ethoxy-2-methylidenehepta-3,5-dien-1-imine (CID 89197940) is (E,3Z,5Z)-N-ethoxy-2-methylidenehepta-3,5-dien-1-imine.
What is the SMILES notation for (E,3Z,5Z)-N-ethoxy-2-methylidenehepta-3,5-dien-1-imine?
The canonical SMILES for (E,3Z,5Z)-N-ethoxy-2-methylidenehepta-3,5-dien-1-imine is C=C(/C=C\C=C/C)/C=N/OCC.
What is the InChIKey of (E,3Z,5Z)-N-ethoxy-2-methylidenehepta-3,5-dien-1-imine?
The InChIKey is ZAJOJRKGFHCBJS-ULXCIBROSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-6-7-8-10(3)9-11-12-5-2/h4,6-9H,3,5H2,1-2H3/b6-4-,8-7-,11-9+.
What are the key properties of (E,3Z,5Z)-N-ethoxy-2-methylidenehepta-3,5-dien-1-imine?
(E,3Z,5Z)-N-ethoxy-2-methylidenehepta-3,5-dien-1-imine has a molecular weight of 165.24 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3Z,5Z)-N-ethoxy-2-methylidenehepta-3,5-dien-1-imine is sourced from PubChem (CID 89197940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).