6-[2-(3-methoxyphenyl)ethenyl]-2,3,4,5-tetrahydropyridine

C14H17NO — CID 74412787

IUPAC6-[2-(3-methoxyphenyl)ethenyl]-2,3,4,5-tetrahydropyridine
SMILESCOc1cccc(C=CC2=NCCCC2)c1
InChIInChI=1S/C14H17NO/c1-16-14-7-4-5-12(11-14)8-9-13-6-2-3-10-15-13/h4-5,7-9,11H,2-3,6,10H2,1H3
InChIKeyVSZFPKSXBZLIQS-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.33
Rot. Bonds3

About 6-[2-(3-methoxyphenyl)ethenyl]-2,3,4,5-tetrahydropyridine

6-[2-(3-methoxyphenyl)ethenyl]-2,3,4,5-tetrahydropyridine (PubChem CID 74412787) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 6-[2-(3-methoxyphenyl)ethenyl]-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-[2-(3-methoxyphenyl)ethenyl]-2,3,4,5-tetrahydropyridine
PubChem CID74412787
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name6-[2-(3-methoxyphenyl)ethenyl]-2,3,4,5-tetrahydropyridine
SMILESCOc1cccc(C=CC2=NCCCC2)c1
InChIInChI=1S/C14H17NO/c1-16-14-7-4-5-12(11-14)8-9-13-6-2-3-10-15-13/h4-5,7-9,11H,2-3,6,10H2,1H3
InChIKeyVSZFPKSXBZLIQS-UHFFFAOYSA-N
XLogP3.33
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(E)-2-(3-methoxyphenyl)ethenyl]phenol
CID 11401879
3-[(E)-2-(3-methoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 89046788
4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 97104200
3-methoxy-N-(3-methoxyphenyl)-N-[4-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]aniline
CID 69462204
2-[2-(3-methoxyphenyl)ethenyl]-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-b]azepine
CID 54023963
2-[(E)-2-(3-methoxyphenyl)ethenyl]-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-b]azepine
CID 15069496
1-[(E)-but-1-enyl]-3-methoxybenzene
CID 5382989
2,4-dimethoxy-1-[(E)-2-(3-methoxyphenyl)ethenyl]benzene
CID 90666858
2-[(Z)-3-(3-methoxyphenyl)prop-2-enyl]-1,3-dioxane
CID 117062487
4-[(E)-2-[3,5-bis[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]ethenyl]-N,N-diphenylaniline
CID 166938463
[(E)-3-(3-methoxyphenyl)prop-2-enyl] formate
CID 173173536
3-(3-methoxyphenyl)-2-methylprop-2-enal
CID 54057122

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methoxyphenyl)ethenyl]-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-[2-(3-methoxyphenyl)ethenyl]-2,3,4,5-tetrahydropyridine (CID 74412787) is 6-[2-(3-methoxyphenyl)ethenyl]-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-[2-(3-methoxyphenyl)ethenyl]-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-[2-(3-methoxyphenyl)ethenyl]-2,3,4,5-tetrahydropyridine is COc1cccc(C=CC2=NCCCC2)c1.
What is the InChIKey of 6-[2-(3-methoxyphenyl)ethenyl]-2,3,4,5-tetrahydropyridine?
The InChIKey is VSZFPKSXBZLIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-16-14-7-4-5-12(11-14)8-9-13-6-2-3-10-15-13/h4-5,7-9,11H,2-3,6,10H2,1H3.
What are the key properties of 6-[2-(3-methoxyphenyl)ethenyl]-2,3,4,5-tetrahydropyridine?
6-[2-(3-methoxyphenyl)ethenyl]-2,3,4,5-tetrahydropyridine has a molecular weight of 215.30 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methoxyphenyl)ethenyl]-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 74412787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).