2-[2-[(E)-hex-3-en-3-yl]-6-methylphenyl]pyridine

C18H21N — CID 101134169

IUPAC2-[2-[(E)-hex-3-en-3-yl]-6-methylphenyl]pyridine
SMILESCC/C=C(\CC)c1cccc(C)c1-c1ccccn1
InChIInChI=1S/C18H21N/c1-4-9-15(5-2)16-11-8-10-14(3)18(16)17-12-6-7-13-19-17/h6-13H,4-5H2,1-3H3/b15-9+
InChIKeySVMVYWCNXHFOTP-OQLLNIDSSA-N
MW251.37 g/mol
LogP5.26
Rot. Bonds4

About 2-[2-[(E)-hex-3-en-3-yl]-6-methylphenyl]pyridine

2-[2-[(E)-hex-3-en-3-yl]-6-methylphenyl]pyridine (PubChem CID 101134169) has the molecular formula C18H21N and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[2-[(E)-hex-3-en-3-yl]-6-methylphenyl]pyridine.

Molecular Properties

Compound Name2-[2-[(E)-hex-3-en-3-yl]-6-methylphenyl]pyridine
PubChem CID101134169
Molecular FormulaC18H21N
Molecular Weight251.37 g/mol
Exact Mass251.17
IUPAC Name2-[2-[(E)-hex-3-en-3-yl]-6-methylphenyl]pyridine
SMILESCC/C=C(\CC)c1cccc(C)c1-c1ccccn1
InChIInChI=1S/C18H21N/c1-4-9-15(5-2)16-11-8-10-14(3)18(16)17-12-6-7-13-19-17/h6-13H,4-5H2,1-3H3/b15-9+
InChIKeySVMVYWCNXHFOTP-OQLLNIDSSA-N
XLogP5.26
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.37
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-methyl-6-[(E)-oct-4-en-4-yl]phenyl]pyridine
CID 101134170
2-[2-[(E)-1,2-diphenylethenyl]-6-methylphenyl]pyridine
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ethane;3-[(E)-hex-3-en-3-yl]-2-(trifluoromethyl)pyridine
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[3-(2-methylbenzoyl)oxy-2-pyridin-2-ylphenyl] 2-methylbenzoate
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2-(2-methylphenyl)pyridine
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(1Z,3Z)-5-(2-methylphenyl)octa-1,3,5-trien-1-amine;(1Z,3Z)-4-[(3R)-3-(2-pyridin-2-ylphenyl)-3H-inden-1-yl]buta-1,3-dien-1-amine
CID 142969905
(Z)-3-phenylpent-2-en-1-amine
CID 63968007
2-(2,4,6-trimethyl-3-pyridin-2-ylphenyl)pyridine
CID 140909024
2-(2-fluoro-3-methylphenyl)pyridine
CID 175536337
acetylene;1-methyl-2-[(E)-pent-2-en-2-yl]benzene
CID 143336737
2-[(Z)-pent-2-en-2-yl]pyridine
CID 45079825

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-hex-3-en-3-yl]-6-methylphenyl]pyridine?
The IUPAC name of 2-[2-[(E)-hex-3-en-3-yl]-6-methylphenyl]pyridine (CID 101134169) is 2-[2-[(E)-hex-3-en-3-yl]-6-methylphenyl]pyridine.
What is the SMILES notation for 2-[2-[(E)-hex-3-en-3-yl]-6-methylphenyl]pyridine?
The canonical SMILES for 2-[2-[(E)-hex-3-en-3-yl]-6-methylphenyl]pyridine is CC/C=C(\CC)c1cccc(C)c1-c1ccccn1.
What is the InChIKey of 2-[2-[(E)-hex-3-en-3-yl]-6-methylphenyl]pyridine?
The InChIKey is SVMVYWCNXHFOTP-OQLLNIDSSA-N. The full InChI is InChI=1S/C18H21N/c1-4-9-15(5-2)16-11-8-10-14(3)18(16)17-12-6-7-13-19-17/h6-13H,4-5H2,1-3H3/b15-9+.
What are the key properties of 2-[2-[(E)-hex-3-en-3-yl]-6-methylphenyl]pyridine?
2-[2-[(E)-hex-3-en-3-yl]-6-methylphenyl]pyridine has a molecular weight of 251.37 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-hex-3-en-3-yl]-6-methylphenyl]pyridine is sourced from PubChem (CID 101134169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).