2-methyl-3-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane]

C20H24N+ — CID 153452441

IUPAC2-methyl-3-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane]
SMILESCc1ccccc1-c1cc2c(c[n+]1C)CC1(CCCC1)C2
InChIInChI=1S/C20H24N/c1-15-7-3-4-8-18(15)19-11-16-12-20(9-5-6-10-20)13-17(16)14-21(19)2/h3-4,7-8,11,14H,5-6,9-10,12-13H2,1-2H3/q+1
InChIKeyKCKDLQZADDSAFD-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.15
Rot. Bonds1

About 2-methyl-3-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane]

2-methyl-3-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane] (PubChem CID 153452441) has the molecular formula C20H24N+ and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-methyl-3-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane].

Molecular Properties

Compound Name2-methyl-3-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane]
PubChem CID153452441
Molecular FormulaC20H24N+
Molecular Weight278.42 g/mol
Exact Mass278.19
IUPAC Name2-methyl-3-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane]
SMILESCc1ccccc1-c1cc2c(c[n+]1C)CC1(CCCC1)C2
InChIInChI=1S/C20H24N/c1-15-7-3-4-8-18(15)19-11-16-12-20(9-5-6-10-20)13-17(16)14-21(19)2/h3-4,7-8,11,14H,5-6,9-10,12-13H2,1-2H3/q+1
InChIKeyKCKDLQZADDSAFD-UHFFFAOYSA-N
XLogP4.15
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.15
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

2,6,6-trimethyl-3-(2-methylphenyl)-5,7-dihydrocyclopenta[c]pyridin-2-ium
CID 170685276
2-methyl-3-(2-methylphenyl)spiro[7,8-dihydro-6H-isoquinolin-2-ium-5,1'-cyclopentane]
CID 153452417
1-methyl-2-(2-methylphenyl)-5-spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclopentane]-2-ylpyridin-1-ium
CID 153452442
1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclohexane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[1,3-dihydroindene-2,1'-cyclopentane]-5-ylpyridin-1-ium;1-methyl-2-(2-methylphenyl)-4-spiro[7,8-dihydro-5H-naphthalene-6,1'-cyclopentane]-2-ylpyridin-1-ium
CID 160943375
4-(8,8-dideuteriospiro[5,7-dihydronaphthalene-6,1'-cyclopentane]-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;5-(1,1-dideuteriospiro[3H-indene-2,1'-cyclohexane]-5-yl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclohexane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclopentane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 158742744
4-(8,8-dideuteriospiro[5,7-dihydronaphthalene-6,1'-cyclohexane]-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(8,8-dideuteriospiro[5,7-dihydronaphthalene-6,1'-cyclopentane]-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclohexane]-5-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium;4-(3,3-dideuteriospiro[1H-indene-2,1'-cyclopentane]-5-yl)-1,5-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 160965315
methane;1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclohexane];2-methyl-1-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[c]pyridin-2-ium-7,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane];2-methyl-1-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane];2-methyl-3-(2-methylphenyl)spiro[6,7-dihydrocyclopenta[c]pyridin-2-ium-5,1'-cyclopentane]
CID 158688264
4,5-bis(2-deuteriopropan-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140878082
1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)spiro[4,6-dihydrocyclopenta[d]imidazol-3-ium-5,1'-cyclohexane];1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-(2-methylphenyl)spiro[4,6-dihydrocyclopenta[d]imidazol-3-ium-5,1'-cyclopentane];3-methyl-2-(2-methylphenyl)-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]spiro[4,6-dihydrocyclopenta[d]imidazol-3-ium-5,1'-cyclopentane];5,5,8,8-tetradeuterio-2-methyl-3-(2-methylphenyl)spiro[6H-isoquinolin-2-ium-7,1'-cyclohexane]
CID 158218320
5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 123794284
1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclopentane]
CID 153452458
4-tert-butyl-1-methyl-2-(2-methylphenyl)-5-propan-2-ylpyridin-1-ium
CID 164727662

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane]?
The IUPAC name of 2-methyl-3-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane] (CID 153452441) is 2-methyl-3-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane].
What is the SMILES notation for 2-methyl-3-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane]?
The canonical SMILES for 2-methyl-3-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane] is Cc1ccccc1-c1cc2c(c[n+]1C)CC1(CCCC1)C2.
What is the InChIKey of 2-methyl-3-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane]?
The InChIKey is KCKDLQZADDSAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N/c1-15-7-3-4-8-18(15)19-11-16-12-20(9-5-6-10-20)13-17(16)14-21(19)2/h3-4,7-8,11,14H,5-6,9-10,12-13H2,1-2H3/q+1.
What are the key properties of 2-methyl-3-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane]?
2-methyl-3-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane] has a molecular weight of 278.42 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2-methylphenyl)spiro[5,7-dihydrocyclopenta[c]pyridin-2-ium-6,1'-cyclopentane] is sourced from PubChem (CID 153452441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).