2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridine

C13H15N — CID 143178055

IUPAC2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridine
SMILESC=C/C=C(\C=C/C)c1ccc(C)cn1
InChIInChI=1S/C13H15N/c1-4-6-12(7-5-2)13-9-8-11(3)10-14-13/h4-10H,1H2,2-3H3/b7-5-,12-6+
InChIKeyLWHSCKYFGKHRMT-NFWBANDSSA-N
MW185.27 g/mol
LogP3.54
Rot. Bonds3

About 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridine

2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridine (PubChem CID 143178055) has the molecular formula C13H15N and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridine.

Molecular Properties

Compound Name2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridine
PubChem CID143178055
Molecular FormulaC13H15N
Molecular Weight185.27 g/mol
Exact Mass185.12
IUPAC Name2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridine
SMILESC=C/C=C(\C=C/C)c1ccc(C)cn1
InChIInChI=1S/C13H15N/c1-4-6-12(7-5-2)13-9-8-11(3)10-14-13/h4-10H,1H2,2-3H3/b7-5-,12-6+
InChIKeyLWHSCKYFGKHRMT-NFWBANDSSA-N
XLogP3.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;2-[(3E)-hexa-1,3,5-trien-3-yl]-5-methylpyridine
CID 142353727
2-hepta-1,3,5-trien-4-yl-5-(5-methylnaphthalen-1-yl)pyridine
CID 123280438
6-[(3E,5Z)-hepta-1,3,5-trien-4-yl]pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 170635404
(Z)-1-(5-methyl-2-pyridinyl)prop-1-en-1-amine
CID 174335026
2-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-methylpyridine
CID 177235271
5-ethyl-2-[(3E)-hexa-1,3,5-trien-3-yl]pyridine
CID 177047395
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,5-dimethylimidazole
CID 130256315
N-ethenyl-2-(5-methyl-2-pyridinyl)prop-2-en-1-imine
CID 144518543
2-[(2E,4E,6E)-3-methoxynona-2,4,6-trien-5-yl]-5-methylpyridine
CID 177235281
N-[5-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-3-[hydroxy(phenyl)methyl]pyrazin-2-yl]-2-(4-methylphenyl)acetamide
CID 143000142
1-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylimidazole
CID 144631854
2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylpyridine
CID 143408630

Frequently Asked Questions

What is the IUPAC name of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridine?
The IUPAC name of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridine (CID 143178055) is 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridine.
What is the SMILES notation for 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridine?
The canonical SMILES for 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridine is C=C/C=C(\C=C/C)c1ccc(C)cn1.
What is the InChIKey of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridine?
The InChIKey is LWHSCKYFGKHRMT-NFWBANDSSA-N. The full InChI is InChI=1S/C13H15N/c1-4-6-12(7-5-2)13-9-8-11(3)10-14-13/h4-10H,1H2,2-3H3/b7-5-,12-6+.
What are the key properties of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridine?
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridine has a molecular weight of 185.27 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-5-methylpyridine is sourced from PubChem (CID 143178055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).