2-(5-methylhexa-1,3,5-trien-2-yloxymethyl)pyridine

C13H15NO — CID 91037930

IUPAC2-(5-methylhexa-1,3,5-trien-2-yloxymethyl)pyridine
SMILESC=C(C)C=CC(=C)OCc1ccccn1
InChIInChI=1S/C13H15NO/c1-11(2)7-8-12(3)15-10-13-6-4-5-9-14-13/h4-9H,1,3,10H2,2H3
InChIKeyWZHGDFYHPGZMMU-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.24
Rot. Bonds5

About 2-(5-methylhexa-1,3,5-trien-2-yloxymethyl)pyridine

2-(5-methylhexa-1,3,5-trien-2-yloxymethyl)pyridine (PubChem CID 91037930) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(5-methylhexa-1,3,5-trien-2-yloxymethyl)pyridine.

Molecular Properties

Compound Name2-(5-methylhexa-1,3,5-trien-2-yloxymethyl)pyridine
PubChem CID91037930
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-(5-methylhexa-1,3,5-trien-2-yloxymethyl)pyridine
SMILESC=C(C)C=CC(=C)OCc1ccccn1
InChIInChI=1S/C13H15NO/c1-11(2)7-8-12(3)15-10-13-6-4-5-9-14-13/h4-9H,1,3,10H2,2H3
InChIKeyWZHGDFYHPGZMMU-UHFFFAOYSA-N
XLogP3.24
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.24
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'}

Analyze 2-(5-methylhexa-1,3,5-trien-2-yloxymethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyridin-2-ylmethyl 3,3-dimethyl-2-methylidenebutanoate
CID 11458652
2-(2-methylprop-2-enyl)pyridine
CID 12534227
(Z,Z)-2-pyridin-2-yl-N-[1-(pyridin-2-ylmethoxy)ethenyl]but-2-en-1-imine
CID 142517593
(E)-N-(pyridin-2-ylmethoxy)propan-1-imine
CID 88538998
pyridin-2-ylmethyl 2-aminopropanoate
CID 83529934
ethane;pyridin-2-ylmethanamine
CID 90791011
pyridin-2-ylmethyl 2-trimethylsilylpropanoate
CID 11962005
pyridin-2-ylmethyl (E)-hept-2-enoate
CID 11053158
2-[[(3Z,5E)-5-pyridin-2-ylhepta-1,3,5-trien-2-yl]oxymethyl]-1,3-thiazole
CID 142517592
propanamide;pyridin-2-ylmethyl 3-oxobutanoate
CID 175608980
bis(pyridin-2-ylmethyl) (2R,3R)-2,3-dipropylbutanedioate
CID 102384709
pyridin-2-ylmethyl 3-trimethylsilylpropanoate
CID 11962004

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylhexa-1,3,5-trien-2-yloxymethyl)pyridine?
The IUPAC name of 2-(5-methylhexa-1,3,5-trien-2-yloxymethyl)pyridine (CID 91037930) is 2-(5-methylhexa-1,3,5-trien-2-yloxymethyl)pyridine.
What is the SMILES notation for 2-(5-methylhexa-1,3,5-trien-2-yloxymethyl)pyridine?
The canonical SMILES for 2-(5-methylhexa-1,3,5-trien-2-yloxymethyl)pyridine is C=C(C)C=CC(=C)OCc1ccccn1.
What is the InChIKey of 2-(5-methylhexa-1,3,5-trien-2-yloxymethyl)pyridine?
The InChIKey is WZHGDFYHPGZMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-11(2)7-8-12(3)15-10-13-6-4-5-9-14-13/h4-9H,1,3,10H2,2H3.
What are the key properties of 2-(5-methylhexa-1,3,5-trien-2-yloxymethyl)pyridine?
2-(5-methylhexa-1,3,5-trien-2-yloxymethyl)pyridine has a molecular weight of 201.27 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhexa-1,3,5-trien-2-yloxymethyl)pyridine is sourced from PubChem (CID 91037930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).