(3E,4Z)-3-ethylidene-4-(methoxymethylidene)hex-5-en-2-imine

C10H15NO — CID 123585704

IUPAC(3E,4Z)-3-ethylidene-4-(methoxymethylidene)hex-5-en-2-imine
SMILES[H]/N=C(C)/C(=C/C)C(/C=C)=C\OC
InChIInChI=1S/C10H15NO/c1-5-9(7-12-4)10(6-2)8(3)11/h5-7,11H,1H2,2-4H3/b9-7-,10-6-,11-8+
InChIKeyGDXPUEAAHKXAQE-HBSNSWCGSA-N
MW165.24 g/mol
LogP2.69
Rot. Bonds4

About (3E,4Z)-3-ethylidene-4-(methoxymethylidene)hex-5-en-2-imine

(3E,4Z)-3-ethylidene-4-(methoxymethylidene)hex-5-en-2-imine (PubChem CID 123585704) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (3E,4Z)-3-ethylidene-4-(methoxymethylidene)hex-5-en-2-imine.

Molecular Properties

Compound Name(3E,4Z)-3-ethylidene-4-(methoxymethylidene)hex-5-en-2-imine
PubChem CID123585704
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(3E,4Z)-3-ethylidene-4-(methoxymethylidene)hex-5-en-2-imine
SMILES[H]/N=C(C)/C(=C/C)C(/C=C)=C\OC
InChIInChI=1S/C10H15NO/c1-5-9(7-12-4)10(6-2)8(3)11/h5-7,11H,1H2,2-4H3/b9-7-,10-6-,11-8+
InChIKeyGDXPUEAAHKXAQE-HBSNSWCGSA-N
XLogP2.69
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.69
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 (3E,4Z)-3-ethylidene-4-(methoxymethylidene)hex-5-en-2-imine?
The IUPAC name of (3E,4Z)-3-ethylidene-4-(methoxymethylidene)hex-5-en-2-imine (CID 123585704) is (3E,4Z)-3-ethylidene-4-(methoxymethylidene)hex-5-en-2-imine.
What is the SMILES notation for (3E,4Z)-3-ethylidene-4-(methoxymethylidene)hex-5-en-2-imine?
The canonical SMILES for (3E,4Z)-3-ethylidene-4-(methoxymethylidene)hex-5-en-2-imine is [H]/N=C(C)/C(=C/C)C(/C=C)=C\OC.
What is the InChIKey of (3E,4Z)-3-ethylidene-4-(methoxymethylidene)hex-5-en-2-imine?
The InChIKey is GDXPUEAAHKXAQE-HBSNSWCGSA-N. The full InChI is InChI=1S/C10H15NO/c1-5-9(7-12-4)10(6-2)8(3)11/h5-7,11H,1H2,2-4H3/b9-7-,10-6-,11-8+.
What are the key properties of (3E,4Z)-3-ethylidene-4-(methoxymethylidene)hex-5-en-2-imine?
(3E,4Z)-3-ethylidene-4-(methoxymethylidene)hex-5-en-2-imine has a molecular weight of 165.24 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,4Z)-3-ethylidene-4-(methoxymethylidene)hex-5-en-2-imine is sourced from PubChem (CID 123585704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).