(3E)-3-ethylidene-2-[(2E)-4-methoxy-2-methylpenta-2,4-dienyl]-4-methylidenepyridine

C15H19NO — CID 90443549

IUPAC(3E)-3-ethylidene-2-[(2E)-4-methoxy-2-methylpenta-2,4-dienyl]-4-methylidenepyridine
SMILESC=C(/C=C(\C)Cc1nccc(=C)/c1=C\C)OC
InChIInChI=1S/C15H19NO/c1-6-14-12(3)7-8-16-15(14)10-11(2)9-13(4)17-5/h6-9H,3-4,10H2,1-2,5H3/b11-9+,14-6+
InChIKeyUQXNTJRTYQGAQZ-ZHWXPBBRSA-N
MW229.32 g/mol
LogP1.94
Rot. Bonds4

About (3E)-3-ethylidene-2-[(2E)-4-methoxy-2-methylpenta-2,4-dienyl]-4-methylidenepyridine

(3E)-3-ethylidene-2-[(2E)-4-methoxy-2-methylpenta-2,4-dienyl]-4-methylidenepyridine (PubChem CID 90443549) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is (3E)-3-ethylidene-2-[(2E)-4-methoxy-2-methylpenta-2,4-dienyl]-4-methylidenepyridine.

Molecular Properties

Compound Name(3E)-3-ethylidene-2-[(2E)-4-methoxy-2-methylpenta-2,4-dienyl]-4-methylidenepyridine
PubChem CID90443549
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name(3E)-3-ethylidene-2-[(2E)-4-methoxy-2-methylpenta-2,4-dienyl]-4-methylidenepyridine
SMILESC=C(/C=C(\C)Cc1nccc(=C)/c1=C\C)OC
InChIInChI=1S/C15H19NO/c1-6-14-12(3)7-8-16-15(14)10-11(2)9-13(4)17-5/h6-9H,3-4,10H2,1-2,5H3/b11-9+,14-6+
InChIKeyUQXNTJRTYQGAQZ-ZHWXPBBRSA-N
XLogP1.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 129879825
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CID 169112947
5-(4-Methoxycyclohexa-2,4-dien-1-yl)-2-methyl-3,4-dihydropyridine
CID 71034642
6-Methoxy-4-quinolyllithium
CID 86732902
lithium 7-methoxy-4H-quinolin-4-ide
CID 88830496
1-(5-methoxy-2-methylcyclohepta-1,3,5-trien-1-yl)-N-methylethanimine
CID 91218426
6-Ethenyl-5-(1-methoxyethenyl)-2-propyl-2,3-dihydropyridine
CID 123211799
(3E,5Z)-3-ethenyl-N-[(1E)-3-ethoxy-2-methylbuta-1,3-dienyl]hepta-3,5-dien-2-imine
CID 134228902
(2E,5E)-4-N-ethenyl-2-(2-methoxypropylidene)-1-N-methyl-3,6-dimethylidene-5-prop-2-enylidenecyclohexane-1,4-diimine
CID 138602838
(6Z)-6-ethylidene-3-methoxy-N-methylcyclohexa-2,4-dien-1-imine
CID 142275833
(6E)-6-butan-2-ylidene-N-ethenyl-3,4-dimethoxycyclohexa-2,4-dien-1-imine
CID 144576333
5H-4,1-benzoxazocine
CID 154194592

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethylidene-2-[(2E)-4-methoxy-2-methylpenta-2,4-dienyl]-4-methylidenepyridine?
The IUPAC name of (3E)-3-ethylidene-2-[(2E)-4-methoxy-2-methylpenta-2,4-dienyl]-4-methylidenepyridine (CID 90443549) is (3E)-3-ethylidene-2-[(2E)-4-methoxy-2-methylpenta-2,4-dienyl]-4-methylidenepyridine.
What is the SMILES notation for (3E)-3-ethylidene-2-[(2E)-4-methoxy-2-methylpenta-2,4-dienyl]-4-methylidenepyridine?
The canonical SMILES for (3E)-3-ethylidene-2-[(2E)-4-methoxy-2-methylpenta-2,4-dienyl]-4-methylidenepyridine is C=C(/C=C(\C)Cc1nccc(=C)/c1=C\C)OC.
What is the InChIKey of (3E)-3-ethylidene-2-[(2E)-4-methoxy-2-methylpenta-2,4-dienyl]-4-methylidenepyridine?
The InChIKey is UQXNTJRTYQGAQZ-ZHWXPBBRSA-N. The full InChI is InChI=1S/C15H19NO/c1-6-14-12(3)7-8-16-15(14)10-11(2)9-13(4)17-5/h6-9H,3-4,10H2,1-2,5H3/b11-9+,14-6+.
What are the key properties of (3E)-3-ethylidene-2-[(2E)-4-methoxy-2-methylpenta-2,4-dienyl]-4-methylidenepyridine?
(3E)-3-ethylidene-2-[(2E)-4-methoxy-2-methylpenta-2,4-dienyl]-4-methylidenepyridine has a molecular weight of 229.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylidene-2-[(2E)-4-methoxy-2-methylpenta-2,4-dienyl]-4-methylidenepyridine is sourced from PubChem (CID 90443549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).