1-methyl-2-(2-methyl-8a,9-dihydro-4bH-fluoren-1-yl)pyridin-1-ium

C20H20N+ — CID 162107173

IUPAC1-methyl-2-(2-methyl-8a,9-dihydro-4bH-fluoren-1-yl)pyridin-1-ium
SMILESCc1ccc2c(c1-c1cccc[n+]1C)CC1C=CC=CC21
InChIInChI=1S/C20H20N/c1-14-10-11-17-16-8-4-3-7-15(16)13-18(17)20(14)19-9-5-6-12-21(19)2/h3-12,15-16H,13H2,1-2H3/q+1
InChIKeyWRWDDJBNJFLHIJ-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.87
Rot. Bonds1

About 1-methyl-2-(2-methyl-8a,9-dihydro-4bH-fluoren-1-yl)pyridin-1-ium

1-methyl-2-(2-methyl-8a,9-dihydro-4bH-fluoren-1-yl)pyridin-1-ium (PubChem CID 162107173) has the molecular formula C20H20N+ and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-methyl-2-(2-methyl-8a,9-dihydro-4bH-fluoren-1-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(2-methyl-8a,9-dihydro-4bH-fluoren-1-yl)pyridin-1-ium
PubChem CID162107173
Molecular FormulaC20H20N+
Molecular Weight274.39 g/mol
Exact Mass274.16
IUPAC Name1-methyl-2-(2-methyl-8a,9-dihydro-4bH-fluoren-1-yl)pyridin-1-ium
SMILESCc1ccc2c(c1-c1cccc[n+]1C)CC1C=CC=CC21
InChIInChI=1S/C20H20N/c1-14-10-11-17-16-8-4-3-7-15(16)13-18(17)20(14)19-9-5-6-12-21(19)2/h3-12,15-16H,13H2,1-2H3/q+1
InChIKeyWRWDDJBNJFLHIJ-UHFFFAOYSA-N
XLogP3.87
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.87
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

2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium
CID 140800379
1-methyl-2-(1,1,3,3,5-pentamethyl-2H-inden-4-yl)pyridin-1-ium
CID 177075093
ethane;1-methyl-2-(2-methyl-9H-fluoren-1-yl)pyridin-1-ium;1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 161214626
1-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)pyridin-1-ium
CID 140899480
1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium
CID 159863789
1-methyl-2-(1,3,6-trimethyl-2,3-dihydro-1H-inden-5-yl)pyridin-1-ium
CID 177074990
1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
CID 69331009
1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium
CID 176645803
1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 58150990
2-[6-(4-cyclohexyl-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 167357386
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-methyl-1-(1-methylpyridin-1-ium-2-yl)-9H-carbazole
CID 147064951

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methyl-8a,9-dihydro-4bH-fluoren-1-yl)pyridin-1-ium?
The IUPAC name of 1-methyl-2-(2-methyl-8a,9-dihydro-4bH-fluoren-1-yl)pyridin-1-ium (CID 162107173) is 1-methyl-2-(2-methyl-8a,9-dihydro-4bH-fluoren-1-yl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(2-methyl-8a,9-dihydro-4bH-fluoren-1-yl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2-(2-methyl-8a,9-dihydro-4bH-fluoren-1-yl)pyridin-1-ium is Cc1ccc2c(c1-c1cccc[n+]1C)CC1C=CC=CC21.
What is the InChIKey of 1-methyl-2-(2-methyl-8a,9-dihydro-4bH-fluoren-1-yl)pyridin-1-ium?
The InChIKey is WRWDDJBNJFLHIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N/c1-14-10-11-17-16-8-4-3-7-15(16)13-18(17)20(14)19-9-5-6-12-21(19)2/h3-12,15-16H,13H2,1-2H3/q+1.
What are the key properties of 1-methyl-2-(2-methyl-8a,9-dihydro-4bH-fluoren-1-yl)pyridin-1-ium?
1-methyl-2-(2-methyl-8a,9-dihydro-4bH-fluoren-1-yl)pyridin-1-ium has a molecular weight of 274.39 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(2-methyl-8a,9-dihydro-4bH-fluoren-1-yl)pyridin-1-ium is sourced from PubChem (CID 162107173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).