1,5,9-trimethyl-5H-indeno[1,2-b]pyridin-1-ium

C15H16N+ — CID 170684386

IUPAC1,5,9-trimethyl-5H-indeno[1,2-b]pyridin-1-ium
SMILESCc1cccc2c1-c1c(ccc[n+]1C)C2C
InChIInChI=1S/C15H16N/c1-10-6-4-7-12-11(2)13-8-5-9-16(3)15(13)14(10)12/h4-9,11H,1-3H3/q+1
InChIKeyZCDAQGAEFVZQDJ-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.95
Rot. Bonds

About 1,5,9-trimethyl-5H-indeno[1,2-b]pyridin-1-ium

1,5,9-trimethyl-5H-indeno[1,2-b]pyridin-1-ium (PubChem CID 170684386) has the molecular formula C15H16N+ and a molecular weight of 210.30 g/mol. Its IUPAC name is 1,5,9-trimethyl-5H-indeno[1,2-b]pyridin-1-ium.

Molecular Properties

Compound Name1,5,9-trimethyl-5H-indeno[1,2-b]pyridin-1-ium
PubChem CID170684386
Molecular FormulaC15H16N+
Molecular Weight210.30 g/mol
Exact Mass210.13
IUPAC Name1,5,9-trimethyl-5H-indeno[1,2-b]pyridin-1-ium
SMILESCc1cccc2c1-c1c(ccc[n+]1C)C2C
InChIInChI=1S/C15H16N/c1-10-6-4-7-12-11(2)13-8-5-9-16(3)15(13)14(10)12/h4-9,11H,1-3H3/q+1
InChIKeyZCDAQGAEFVZQDJ-UHFFFAOYSA-N
XLogP2.95
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,5,9-trimethyl-9H-fluorene
CID 20673052
2-(2,6-dimethylphenyl)-1,3-dimethylpyridin-1-ium
CID 123291859
1-methyl-9-(2-methylphenyl)-9H-indeno[2,1-b]pyridin-1-ium
CID 123474758
1,2,3-trimethylpyridin-1-ium;hydrobromide
CID 18985420
3,16-dimethyl-8-thia-3-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene
CID 166054292
bis(1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium);bis(1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium);2-(2,6-dimethylphenyl)-1-methylpyridin-1-ium
CID 162169216
2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium
CID 140800379
(1S)-3-methoxy-1,4-dimethyl-1H-indene
CID 130220443
6-methyltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaene
CID 20707574
1,11-dimethyl-3aH-phenanthro[9,10-b]pyrrol-1-ium
CID 165172791
1,6,9-trimethyl-6-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 140907972
1-methyl-N-(2-methylphenyl)pyridin-1-ium-2-amine
CID 170230051

Frequently Asked Questions

What is the IUPAC name of 1,5,9-trimethyl-5H-indeno[1,2-b]pyridin-1-ium?
The IUPAC name of 1,5,9-trimethyl-5H-indeno[1,2-b]pyridin-1-ium (CID 170684386) is 1,5,9-trimethyl-5H-indeno[1,2-b]pyridin-1-ium.
What is the SMILES notation for 1,5,9-trimethyl-5H-indeno[1,2-b]pyridin-1-ium?
The canonical SMILES for 1,5,9-trimethyl-5H-indeno[1,2-b]pyridin-1-ium is Cc1cccc2c1-c1c(ccc[n+]1C)C2C.
What is the InChIKey of 1,5,9-trimethyl-5H-indeno[1,2-b]pyridin-1-ium?
The InChIKey is ZCDAQGAEFVZQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N/c1-10-6-4-7-12-11(2)13-8-5-9-16(3)15(13)14(10)12/h4-9,11H,1-3H3/q+1.
What are the key properties of 1,5,9-trimethyl-5H-indeno[1,2-b]pyridin-1-ium?
1,5,9-trimethyl-5H-indeno[1,2-b]pyridin-1-ium has a molecular weight of 210.30 g/mol, XLogP of 2.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,9-trimethyl-5H-indeno[1,2-b]pyridin-1-ium is sourced from PubChem (CID 170684386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).