2-methyl-3-[(E)-2-(4-methylphenyl)but-1-enyl]pyridine

C17H19N — CID 144586371

IUPAC2-methyl-3-[(E)-2-(4-methylphenyl)but-1-enyl]pyridine
SMILESCC/C(=C\c1cccnc1C)c1ccc(C)cc1
InChIInChI=1S/C17H19N/c1-4-15(16-9-7-13(2)8-10-16)12-17-6-5-11-18-14(17)3/h5-12H,4H2,1-3H3/b15-12+
InChIKeyUANFUORITMFRSY-NTCAYCPXSA-N
MW237.35 g/mol
LogP4.65
Rot. Bonds3

About 2-methyl-3-[(E)-2-(4-methylphenyl)but-1-enyl]pyridine

2-methyl-3-[(E)-2-(4-methylphenyl)but-1-enyl]pyridine (PubChem CID 144586371) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-methyl-3-[(E)-2-(4-methylphenyl)but-1-enyl]pyridine.

Molecular Properties

Compound Name2-methyl-3-[(E)-2-(4-methylphenyl)but-1-enyl]pyridine
PubChem CID144586371
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name2-methyl-3-[(E)-2-(4-methylphenyl)but-1-enyl]pyridine
SMILESCC/C(=C\c1cccnc1C)c1ccc(C)cc1
InChIInChI=1S/C17H19N/c1-4-15(16-9-7-13(2)8-10-16)12-17-6-5-11-18-14(17)3/h5-12H,4H2,1-3H3/b15-12+
InChIKeyUANFUORITMFRSY-NTCAYCPXSA-N
XLogP4.65
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 11031503
2,3-dimethylpyridine;1,4-xylene
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1-methyl-4-(6-phenyldeca-3,5-dien-3-yl)benzene
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3-(2-methyl-3-pyridinyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-en-1-amine
CID 170805818
3-fluoro-2-methylpyridine;propane
CID 171848252
(E)-2-(4-methylphenyl)-3-phenylprop-2-en-1-ol
CID 71219212
1-(2-methyl-3-pyridinyl)propan-1-one
CID 67478266
4-[(Z)-1-(2,3-dimethoxyphenyl)but-1-en-2-yl]pyridine
CID 5354786
N-[[2-(4-methylphenyl)-3-pyridinyl]methylidene]hydroxylamine
CID 142575037
1-methyl-4-[(3E,5Z)-octa-3,5,7-trien-3-yl]benzene
CID 144661005
1-chloro-4-[(E)-2-phenylbut-1-enyl]benzene
CID 72793482

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(E)-2-(4-methylphenyl)but-1-enyl]pyridine?
The IUPAC name of 2-methyl-3-[(E)-2-(4-methylphenyl)but-1-enyl]pyridine (CID 144586371) is 2-methyl-3-[(E)-2-(4-methylphenyl)but-1-enyl]pyridine.
What is the SMILES notation for 2-methyl-3-[(E)-2-(4-methylphenyl)but-1-enyl]pyridine?
The canonical SMILES for 2-methyl-3-[(E)-2-(4-methylphenyl)but-1-enyl]pyridine is CC/C(=C\c1cccnc1C)c1ccc(C)cc1.
What is the InChIKey of 2-methyl-3-[(E)-2-(4-methylphenyl)but-1-enyl]pyridine?
The InChIKey is UANFUORITMFRSY-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H19N/c1-4-15(16-9-7-13(2)8-10-16)12-17-6-5-11-18-14(17)3/h5-12H,4H2,1-3H3/b15-12+.
What are the key properties of 2-methyl-3-[(E)-2-(4-methylphenyl)but-1-enyl]pyridine?
2-methyl-3-[(E)-2-(4-methylphenyl)but-1-enyl]pyridine has a molecular weight of 237.35 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(E)-2-(4-methylphenyl)but-1-enyl]pyridine is sourced from PubChem (CID 144586371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).