2-[2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethenyl]pyridine

C18H17NO2 — CID 91182237

IUPAC2-[2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethenyl]pyridine
SMILESC1=CCCC(CC2=COC=C(C=Cc3ccccn3)O2)=C1
InChIInChI=1S/C18H17NO2/c1-2-6-15(7-3-1)12-18-14-20-13-17(21-18)10-9-16-8-4-5-11-19-16/h1-2,4-6,8-11,13-14H,3,7,12H2
InChIKeyUQBYRRISLUZCMW-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.49
Rot. Bonds4

About 2-[2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethenyl]pyridine

2-[2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethenyl]pyridine (PubChem CID 91182237) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethenyl]pyridine.

Molecular Properties

Compound Name2-[2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethenyl]pyridine
PubChem CID91182237
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name2-[2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethenyl]pyridine
SMILESC1=CCCC(CC2=COC=C(C=Cc3ccccn3)O2)=C1
InChIInChI=1S/C18H17NO2/c1-2-6-15(7-3-1)12-18-14-20-13-17(21-18)10-9-16-8-4-5-11-19-16/h1-2,4-6,8-11,13-14H,3,7,12H2
InChIKeyUQBYRRISLUZCMW-UHFFFAOYSA-N
XLogP4.49
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]methanol
CID 91584549
7-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]furo[3,2-b]pyridine
CID 66779376
2-(2-pyridin-2-ylethenyl)pyridine
CID 161029843
5-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxine-2-carbaldehyde
CID 90911657
8-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxine-2-carbonyl]-8-azabicyclo[3.2.1]octan-3-one
CID 90860238
tetrakis(benzene-1,2-diol);bis(2-[(E)-2-pyridin-2-ylethenyl]pyridine)
CID 139185658
carbon monoxide;cyclohexa-1,3-dien-1-ylmethylbenzene;iron
CID 134899552
3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-6-ethyl-7-hydroxy-2-methylchromen-4-one
CID 91207892
2-cyclohexa-1,3-dien-1-ylsulfanylpyridine
CID 21467889
2-cyclohexa-1,3-dien-1-ylpyridine;ethane
CID 177335848
2-[2-[3,5-bis(2-pyridin-2-ylethenyl)phenyl]ethenyl]pyridine
CID 5076981
[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-[6-(diethylamino)-1-benzofuran-2-yl]methanone
CID 90815708

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethenyl]pyridine?
The IUPAC name of 2-[2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethenyl]pyridine (CID 91182237) is 2-[2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethenyl]pyridine.
What is the SMILES notation for 2-[2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethenyl]pyridine?
The canonical SMILES for 2-[2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethenyl]pyridine is C1=CCCC(CC2=COC=C(C=Cc3ccccn3)O2)=C1.
What is the InChIKey of 2-[2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethenyl]pyridine?
The InChIKey is UQBYRRISLUZCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-2-6-15(7-3-1)12-18-14-20-13-17(21-18)10-9-16-8-4-5-11-19-16/h1-2,4-6,8-11,13-14H,3,7,12H2.
What are the key properties of 2-[2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethenyl]pyridine?
2-[2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethenyl]pyridine has a molecular weight of 279.34 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]ethenyl]pyridine is sourced from PubChem (CID 91182237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).