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

C20H24N+ — CID 153452458

IUPAC1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclopentane]
SMILESCc1ccccc1-c1ccc2c([n+]1C)C1(CCCC1)CC2
InChIInChI=1S/C20H24N/c1-15-7-3-4-8-17(15)18-10-9-16-11-14-20(12-5-6-13-20)19(16)21(18)2/h3-4,7-10H,5-6,11-14H2,1-2H3/q+1
InChIKeyXTGONJMPGMUOPN-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.24
Rot. Bonds1

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

1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclopentane] (PubChem CID 153452458) has the molecular formula C20H24N+ and a molecular weight of 278.42 g/mol. Its IUPAC name is 1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclopentane].

Molecular Properties

Compound Name1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclopentane]
PubChem CID153452458
Molecular FormulaC20H24N+
Molecular Weight278.42 g/mol
Exact Mass278.19
IUPAC Name1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclopentane]
SMILESCc1ccccc1-c1ccc2c([n+]1C)C1(CCCC1)CC2
InChIInChI=1S/C20H24N/c1-15-7-3-4-8-17(15)18-10-9-16-11-14-20(12-5-6-13-20)19(16)21(18)2/h3-4,7-10H,5-6,11-14H2,1-2H3/q+1
InChIKeyXTGONJMPGMUOPN-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclopentane]?
The IUPAC name of 1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclopentane] (CID 153452458) is 1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclopentane].
What is the SMILES notation for 1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclopentane]?
The canonical SMILES for 1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclopentane] is Cc1ccccc1-c1ccc2c([n+]1C)C1(CCCC1)CC2.
What is the InChIKey of 1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclopentane]?
The InChIKey is XTGONJMPGMUOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N/c1-15-7-3-4-8-17(15)18-10-9-16-11-14-20(12-5-6-13-20)19(16)21(18)2/h3-4,7-10H,5-6,11-14H2,1-2H3/q+1.
What are the key properties of 1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclopentane]?
1-methyl-2-(2-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclopentane] has a molecular weight of 278.42 g/mol, XLogP of 4.24, 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-methylphenyl)spiro[5,6-dihydrocyclopenta[b]pyridin-1-ium-7,1'-cyclopentane] is sourced from PubChem (CID 153452458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).