3-[(1E)-2-ethenylpenta-1,4-dienyl]-4-methylpyridine

C13H15N — CID 134566553

IUPAC3-[(1E)-2-ethenylpenta-1,4-dienyl]-4-methylpyridine
SMILESC=CC/C(C=C)=C\c1cnccc1C
InChIInChI=1S/C13H15N/c1-4-6-12(5-2)9-13-10-14-8-7-11(13)3/h4-5,7-10H,1-2,6H2,3H3/b12-9-
InChIKeyUNRXPHPNDWYEMB-XFXZXTDPSA-N
MW185.27 g/mol
LogP3.54
Rot. Bonds4

About 3-[(1E)-2-ethenylpenta-1,4-dienyl]-4-methylpyridine

3-[(1E)-2-ethenylpenta-1,4-dienyl]-4-methylpyridine (PubChem CID 134566553) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[(1E)-2-ethenylpenta-1,4-dienyl]-4-methylpyridine.

Molecular Properties

Compound Name3-[(1E)-2-ethenylpenta-1,4-dienyl]-4-methylpyridine
PubChem CID134566553
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name3-[(1E)-2-ethenylpenta-1,4-dienyl]-4-methylpyridine
SMILESC=CC/C(C=C)=C\c1cnccc1C
InChIInChI=1S/C13H15N/c1-4-6-12(5-2)9-13-10-14-8-7-11(13)3/h4-5,7-10H,1-2,6H2,3H3/b12-9-
InChIKeyUNRXPHPNDWYEMB-XFXZXTDPSA-N
XLogP3.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-amino-3-(4-methyl-3-pyridinyl)prop-2-enoic acid
CID 104830952
N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 63327303
1-(4-methyl-3-pyridinyl)prop-2-en-1-one
CID 112704889
(4-methyl-3-pyridinyl)methanimine
CID 89161625
(NZ)-N-[(4-methyl-3-pyridinyl)methylidene]hydroxylamine
CID 5355244
4-methyl-3-[(Z)-3-methylidenepent-1-enyl]pyridine
CID 145372695
(E)-N,3-dimethyl-4-(4-methyl-3-pyridinyl)but-3-en-2-amine
CID 103092887
ethane;3-methyl-4-prop-2-enylpyridine
CID 143260115
4-methyl-3-[(E)-2-(4-methyl-1H-pyrazol-5-yl)prop-1-enyl]pyridine
CID 143600723
4-[(Z)-2-ethenylbut-2-enyl]-3-ethylpyridine
CID 173481390
N-[(1Z)-2-ethylbuta-1,3-dienyl]methanimine;4-methylpyridine
CID 143838581
(E)-1-(4-prop-2-enyl-3-pyridinyl)prop-1-en-2-amine
CID 155131804

Frequently Asked Questions

What is the IUPAC name of 3-[(1E)-2-ethenylpenta-1,4-dienyl]-4-methylpyridine?
The IUPAC name of 3-[(1E)-2-ethenylpenta-1,4-dienyl]-4-methylpyridine (CID 134566553) is 3-[(1E)-2-ethenylpenta-1,4-dienyl]-4-methylpyridine.
What is the SMILES notation for 3-[(1E)-2-ethenylpenta-1,4-dienyl]-4-methylpyridine?
The canonical SMILES for 3-[(1E)-2-ethenylpenta-1,4-dienyl]-4-methylpyridine is C=CC/C(C=C)=C\c1cnccc1C.
What is the InChIKey of 3-[(1E)-2-ethenylpenta-1,4-dienyl]-4-methylpyridine?
The InChIKey is UNRXPHPNDWYEMB-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H15N/c1-4-6-12(5-2)9-13-10-14-8-7-11(13)3/h4-5,7-10H,1-2,6H2,3H3/b12-9-.
What are the key properties of 3-[(1E)-2-ethenylpenta-1,4-dienyl]-4-methylpyridine?
3-[(1E)-2-ethenylpenta-1,4-dienyl]-4-methylpyridine has a molecular weight of 185.27 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1E)-2-ethenylpenta-1,4-dienyl]-4-methylpyridine is sourced from PubChem (CID 134566553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).