3-ethenyl-1-(1-methylpyridin-1-ium-2-yl)-2-prop-1-en-2-ylindole

C19H19N2+ — CID 162103851

IUPAC3-ethenyl-1-(1-methylpyridin-1-ium-2-yl)-2-prop-1-en-2-ylindole
SMILESC=Cc1c(C(=C)C)n(-c2cccc[n+]2C)c2ccccc12
InChIInChI=1S/C19H19N2/c1-5-15-16-10-6-7-11-17(16)21(19(15)14(2)3)18-12-8-9-13-20(18)4/h5-13H,1-2H2,3-4H3/q+1
InChIKeyTXXOURWJPJNEJZ-UHFFFAOYSA-N
MW275.38 g/mol
LogP4.13
Rot. Bonds3

About 3-ethenyl-1-(1-methylpyridin-1-ium-2-yl)-2-prop-1-en-2-ylindole

3-ethenyl-1-(1-methylpyridin-1-ium-2-yl)-2-prop-1-en-2-ylindole (PubChem CID 162103851) has the molecular formula C19H19N2+ and a molecular weight of 275.38 g/mol. Its IUPAC name is 3-ethenyl-1-(1-methylpyridin-1-ium-2-yl)-2-prop-1-en-2-ylindole.

Molecular Properties

Compound Name3-ethenyl-1-(1-methylpyridin-1-ium-2-yl)-2-prop-1-en-2-ylindole
PubChem CID162103851
Molecular FormulaC19H19N2+
Molecular Weight275.38 g/mol
Exact Mass275.15
IUPAC Name3-ethenyl-1-(1-methylpyridin-1-ium-2-yl)-2-prop-1-en-2-ylindole
SMILESC=Cc1c(C(=C)C)n(-c2cccc[n+]2C)c2ccccc12
InChIInChI=1S/C19H19N2/c1-5-15-16-10-6-7-11-17(16)21(19(15)14(2)3)18-12-8-9-13-20(18)4/h5-13H,1-2H2,3-4H3/q+1
InChIKeyTXXOURWJPJNEJZ-UHFFFAOYSA-N
XLogP4.13
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

6-methyl-5,7-bis(1-methylpyridin-1-ium-2-yl)indolo[2,3-b]carbazole
CID 177263990
1,3-dimethyl-9-(1-methylpyridin-1-ium-2-yl)carbazol-2-ol
CID 158408043
1-methyl-2-(1-methylcarbazol-9-yl)-9-(1-methylpyridin-1-ium-2-yl)pyrido[2,3-b]indol-1-ium
CID 177263811
2,3-bis(ethenyl)-1-(4-methylphenyl)indole
CID 91187792
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[(Z)-prop-1-enyl]-2-prop-1-en-2-ylindole
CID 155691078
9-(1,3-dimethylimidazol-1-ium-2-yl)-1-methylcarbazole;ethane;1-methyl-9-(1-methylpyridin-1-ium-2-yl)carbazole
CID 160817149
10-methyl-12-(1-methylpyridin-1-ium-2-yl)-1,12-diazanonacyclo[25.10.1.02,14.05,13.06,11.015,20.021,26.031,38.032,37]octatriaconta-3,5(13),6,8,10,15,17,19,21,23,25,27,29,31(38),32,34,36-heptadecaene
CID 168811504
2,3-bis(ethenyl)-1-(3-methylbut-2-enyl)quinolin-4-one;ethane
CID 143768937
1-[4-[4-[(4E,6Z)-6-(4-dibenzofuran-2-ylphenyl)nona-4,6-dien-4-yl]phenyl]phenyl]-3-ethenyl-2-[(Z)-prop-1-enyl]indole;prop-1-en-2-ylbenzene
CID 144649943
9-(4-ethenyl-3,5-difluorophenyl)carbazole
CID 164577686
9-(4-prop-1-en-2-ylphenyl)-1,2-dihydrocarbazole
CID 145237248
2-[3-ethenyl-2-[(Z)-prop-1-enyl]indol-1-yl]benzene-1,3-dicarbonitrile
CID 135160706

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-(1-methylpyridin-1-ium-2-yl)-2-prop-1-en-2-ylindole?
The IUPAC name of 3-ethenyl-1-(1-methylpyridin-1-ium-2-yl)-2-prop-1-en-2-ylindole (CID 162103851) is 3-ethenyl-1-(1-methylpyridin-1-ium-2-yl)-2-prop-1-en-2-ylindole.
What is the SMILES notation for 3-ethenyl-1-(1-methylpyridin-1-ium-2-yl)-2-prop-1-en-2-ylindole?
The canonical SMILES for 3-ethenyl-1-(1-methylpyridin-1-ium-2-yl)-2-prop-1-en-2-ylindole is C=Cc1c(C(=C)C)n(-c2cccc[n+]2C)c2ccccc12.
What is the InChIKey of 3-ethenyl-1-(1-methylpyridin-1-ium-2-yl)-2-prop-1-en-2-ylindole?
The InChIKey is TXXOURWJPJNEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N2/c1-5-15-16-10-6-7-11-17(16)21(19(15)14(2)3)18-12-8-9-13-20(18)4/h5-13H,1-2H2,3-4H3/q+1.
What are the key properties of 3-ethenyl-1-(1-methylpyridin-1-ium-2-yl)-2-prop-1-en-2-ylindole?
3-ethenyl-1-(1-methylpyridin-1-ium-2-yl)-2-prop-1-en-2-ylindole has a molecular weight of 275.38 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-(1-methylpyridin-1-ium-2-yl)-2-prop-1-en-2-ylindole is sourced from PubChem (CID 162103851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).