5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-1-methylindole

C18H18N2 — CID 155554901

IUPAC5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-1-methylindole
SMILESC=C(c1cc(C)nc(C)c1)c1ccc2c(ccn2C)c1
InChIInChI=1S/C18H18N2/c1-12-9-17(10-13(2)19-12)14(3)15-5-6-18-16(11-15)7-8-20(18)4/h5-11H,3H2,1-2,4H3
InChIKeyYKKUAOOAOPZZDC-UHFFFAOYSA-N
MW262.36 g/mol
LogP4.25
Rot. Bonds2

About 5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-1-methylindole

5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-1-methylindole (PubChem CID 155554901) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-1-methylindole.

Molecular Properties

Compound Name5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-1-methylindole
PubChem CID155554901
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-1-methylindole
SMILESC=C(c1cc(C)nc(C)c1)c1ccc2c(ccn2C)c1
InChIInChI=1S/C18H18N2/c1-12-9-17(10-13(2)19-12)14(3)15-5-6-18-16(11-15)7-8-20(18)4/h5-11H,3H2,1-2,4H3
InChIKeyYKKUAOOAOPZZDC-UHFFFAOYSA-N
XLogP4.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-1-methylindole?
The IUPAC name of 5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-1-methylindole (CID 155554901) is 5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-1-methylindole.
What is the SMILES notation for 5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-1-methylindole?
The canonical SMILES for 5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-1-methylindole is C=C(c1cc(C)nc(C)c1)c1ccc2c(ccn2C)c1.
What is the InChIKey of 5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-1-methylindole?
The InChIKey is YKKUAOOAOPZZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-12-9-17(10-13(2)19-12)14(3)15-5-6-18-16(11-15)7-8-20(18)4/h5-11H,3H2,1-2,4H3.
What are the key properties of 5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-1-methylindole?
5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-1-methylindole has a molecular weight of 262.36 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,6-dimethyl-4-pyridinyl)ethenyl]-1-methylindole is sourced from PubChem (CID 155554901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).