3-(2-methylphenyl)-10bH-pyrido[2,1-a]isoindol-5-ium

C19H16N+ — CID 144963682

IUPAC3-(2-methylphenyl)-10bH-pyrido[2,1-a]isoindol-5-ium
SMILESCc1ccccc1C1=C[N+]2=Cc3ccccc3C2C=C1
InChIInChI=1S/C19H16N/c1-14-6-2-4-8-17(14)16-10-11-19-18-9-5-3-7-15(18)12-20(19)13-16/h2-13,19H,1H3/q+1
InChIKeyAIKPHMHHIZYDEU-UHFFFAOYSA-N
MW258.34 g/mol
LogP4.09
Rot. Bonds1

About 3-(2-methylphenyl)-10bH-pyrido[2,1-a]isoindol-5-ium

3-(2-methylphenyl)-10bH-pyrido[2,1-a]isoindol-5-ium (PubChem CID 144963682) has the molecular formula C19H16N+ and a molecular weight of 258.34 g/mol. Its IUPAC name is 3-(2-methylphenyl)-10bH-pyrido[2,1-a]isoindol-5-ium.

Molecular Properties

Compound Name3-(2-methylphenyl)-10bH-pyrido[2,1-a]isoindol-5-ium
PubChem CID144963682
Molecular FormulaC19H16N+
Molecular Weight258.34 g/mol
Exact Mass258.13
IUPAC Name3-(2-methylphenyl)-10bH-pyrido[2,1-a]isoindol-5-ium
SMILESCc1ccccc1C1=C[N+]2=Cc3ccccc3C2C=C1
InChIInChI=1S/C19H16N/c1-14-6-2-4-8-17(14)16-10-11-19-18-9-5-3-7-15(18)12-20(19)13-16/h2-13,19H,1H3/q+1
InChIKeyAIKPHMHHIZYDEU-UHFFFAOYSA-N
XLogP4.09
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-(2-methylphenyl)-10bH-pyrido[2,1-a]isoindol-5-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-(4-methylcyclohexa-1,5-dien-1-yl)benzene
CID 142604826
2-methyl-1-(2-methylphenyl)-1H-isoindol-2-ium
CID 140889697
1-methyl-2-(2-methylphenyl)-1H-indene
CID 140997796
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene
CID 143793879
carbonic acid;1-methyl-2-(2-methylphenyl)benzene
CID 67741238
3,7-dimethyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene
CID 143691783
dimethylsilane;1-methyl-2-(2-methylphenyl)benzene
CID 162166796
1-[2-[2-(1H-inden-1-yl)phenyl]phenyl]-1H-indene
CID 141431215
1-(2-hydroxy-1,2-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-2-ol
CID 71289286
1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
CID 58892394
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-10bH-pyrido[2,1-a]isoindol-5-ium?
The IUPAC name of 3-(2-methylphenyl)-10bH-pyrido[2,1-a]isoindol-5-ium (CID 144963682) is 3-(2-methylphenyl)-10bH-pyrido[2,1-a]isoindol-5-ium.
What is the SMILES notation for 3-(2-methylphenyl)-10bH-pyrido[2,1-a]isoindol-5-ium?
The canonical SMILES for 3-(2-methylphenyl)-10bH-pyrido[2,1-a]isoindol-5-ium is Cc1ccccc1C1=C[N+]2=Cc3ccccc3C2C=C1.
What is the InChIKey of 3-(2-methylphenyl)-10bH-pyrido[2,1-a]isoindol-5-ium?
The InChIKey is AIKPHMHHIZYDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N/c1-14-6-2-4-8-17(14)16-10-11-19-18-9-5-3-7-15(18)12-20(19)13-16/h2-13,19H,1H3/q+1.
What are the key properties of 3-(2-methylphenyl)-10bH-pyrido[2,1-a]isoindol-5-ium?
3-(2-methylphenyl)-10bH-pyrido[2,1-a]isoindol-5-ium has a molecular weight of 258.34 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-10bH-pyrido[2,1-a]isoindol-5-ium is sourced from PubChem (CID 144963682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).