1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-2-ethylimidazole

C13H18N2 — CID 143625447

IUPAC1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-2-ethylimidazole
SMILESC=C/C(=C\C=C/C)Cn1ccnc1CC
InChIInChI=1S/C13H18N2/c1-4-7-8-12(5-2)11-15-10-9-14-13(15)6-3/h4-5,7-10H,2,6,11H2,1,3H3/b7-4-,12-8+
InChIKeyBJZURXHMAXNTDY-OTIJGBKASA-N
MW202.30 g/mol
LogP3.13
Rot. Bonds5

About 1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-2-ethylimidazole

1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-2-ethylimidazole (PubChem CID 143625447) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-2-ethylimidazole.

Molecular Properties

Compound Name1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-2-ethylimidazole
PubChem CID143625447
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-2-ethylimidazole
SMILESC=C/C(=C\C=C/C)Cn1ccnc1CC
InChIInChI=1S/C13H18N2/c1-4-7-8-12(5-2)11-15-10-9-14-13(15)6-3/h4-5,7-10H,2,6,11H2,1,3H3/b7-4-,12-8+
InChIKeyBJZURXHMAXNTDY-OTIJGBKASA-N
XLogP3.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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2-ethyl-1-prop-1-enylimidazole
CID 141365815
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CID 126847949

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-2-ethylimidazole?
The IUPAC name of 1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-2-ethylimidazole (CID 143625447) is 1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-2-ethylimidazole.
What is the SMILES notation for 1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-2-ethylimidazole?
The canonical SMILES for 1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-2-ethylimidazole is C=C/C(=C\C=C/C)Cn1ccnc1CC.
What is the InChIKey of 1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-2-ethylimidazole?
The InChIKey is BJZURXHMAXNTDY-OTIJGBKASA-N. The full InChI is InChI=1S/C13H18N2/c1-4-7-8-12(5-2)11-15-10-9-14-13(15)6-3/h4-5,7-10H,2,6,11H2,1,3H3/b7-4-,12-8+.
What are the key properties of 1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-2-ethylimidazole?
1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-2-ethylimidazole has a molecular weight of 202.30 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-2-ethylimidazole is sourced from PubChem (CID 143625447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).