5-methyl-4-(2-methylphenyl)-1a,7b-dihydro-1H-cyclopropa[f]isoquinolin-5-ium

C18H18N+ — CID 162269712

IUPAC5-methyl-4-(2-methylphenyl)-1a,7b-dihydro-1H-cyclopropa[f]isoquinolin-5-ium
SMILESCc1ccccc1-c1c2c(cc[n+]1C)C1CC1C=C2
InChIInChI=1S/C18H18N/c1-12-5-3-4-6-14(12)18-16-8-7-13-11-17(13)15(16)9-10-19(18)2/h3-10,13,17H,11H2,1-2H3/q+1
InChIKeyZMMPJZICEVPSIW-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.62
Rot. Bonds1

About 5-methyl-4-(2-methylphenyl)-1a,7b-dihydro-1H-cyclopropa[f]isoquinolin-5-ium

5-methyl-4-(2-methylphenyl)-1a,7b-dihydro-1H-cyclopropa[f]isoquinolin-5-ium (PubChem CID 162269712) has the molecular formula C18H18N+ and a molecular weight of 248.35 g/mol. Its IUPAC name is 5-methyl-4-(2-methylphenyl)-1a,7b-dihydro-1H-cyclopropa[f]isoquinolin-5-ium.

Molecular Properties

Compound Name5-methyl-4-(2-methylphenyl)-1a,7b-dihydro-1H-cyclopropa[f]isoquinolin-5-ium
PubChem CID162269712
Molecular FormulaC18H18N+
Molecular Weight248.35 g/mol
Exact Mass248.14
IUPAC Name5-methyl-4-(2-methylphenyl)-1a,7b-dihydro-1H-cyclopropa[f]isoquinolin-5-ium
SMILESCc1ccccc1-c1c2c(cc[n+]1C)C1CC1C=C2
InChIInChI=1S/C18H18N/c1-12-5-3-4-6-14(12)18-16-8-7-13-11-17(13)15(16)9-10-19(18)2/h3-10,13,17H,11H2,1-2H3/q+1
InChIKeyZMMPJZICEVPSIW-UHFFFAOYSA-N
XLogP3.62
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.62
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

5-tert-butyl-5,8-dideuterio-2-methyl-1-(2-methylphenyl)-7,8-dihydro-6H-isoquinolin-2-ium
CID 162785540
ethane;4-[2-(2-methylphenyl)prop-2-enyl]-1a,7b-dihydro-1H-cyclopropa[a]naphthalene
CID 143923022
1,3,4,5-tetramethyl-2-(2-methylphenyl)pyridin-1-ium;1,3,4-trimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 161077986
2-methyl-1-(2-methylphenyl)-5H-indeno[1,2-c]pyridin-2-ium
CID 59583170
6,6-dideuterio-2-methyl-1-(2-methylphenyl)-5,7-dihydrocyclopenta[c]pyridin-2-ium
CID 140944399
21-methyl-20-(2-methylphenyl)-14,17-diaza-21-azoniahexacyclo[10.6.6.02,11.04,9.013,18.019,24]tetracosa-2,4,6,8,10,13,15,17,19(24),20,22-undecaene
CID 140861395
2-methyl-1-(2-methylphenyl)-[1]benzofuro[3,2-c]pyridin-2-ium
CID 90880561
2,5-dimethyl-4-(2-methylphenyl)-[1,3]oxazolo[5,4-c]pyridin-5-ium
CID 123379683
4-methyl-3-(2-methylphenyl)-1,8-diaza-4-azoniatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene
CID 140889698
3-(2,4-dimethylphenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140881406
7-methyl-8-(2-methylphenyl)-3-propan-2-yl-1,7-naphthyridin-7-ium
CID 123861351
4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 59773314

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylphenyl)-1a,7b-dihydro-1H-cyclopropa[f]isoquinolin-5-ium?
The IUPAC name of 5-methyl-4-(2-methylphenyl)-1a,7b-dihydro-1H-cyclopropa[f]isoquinolin-5-ium (CID 162269712) is 5-methyl-4-(2-methylphenyl)-1a,7b-dihydro-1H-cyclopropa[f]isoquinolin-5-ium.
What is the SMILES notation for 5-methyl-4-(2-methylphenyl)-1a,7b-dihydro-1H-cyclopropa[f]isoquinolin-5-ium?
The canonical SMILES for 5-methyl-4-(2-methylphenyl)-1a,7b-dihydro-1H-cyclopropa[f]isoquinolin-5-ium is Cc1ccccc1-c1c2c(cc[n+]1C)C1CC1C=C2.
What is the InChIKey of 5-methyl-4-(2-methylphenyl)-1a,7b-dihydro-1H-cyclopropa[f]isoquinolin-5-ium?
The InChIKey is ZMMPJZICEVPSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N/c1-12-5-3-4-6-14(12)18-16-8-7-13-11-17(13)15(16)9-10-19(18)2/h3-10,13,17H,11H2,1-2H3/q+1.
What are the key properties of 5-methyl-4-(2-methylphenyl)-1a,7b-dihydro-1H-cyclopropa[f]isoquinolin-5-ium?
5-methyl-4-(2-methylphenyl)-1a,7b-dihydro-1H-cyclopropa[f]isoquinolin-5-ium has a molecular weight of 248.35 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylphenyl)-1a,7b-dihydro-1H-cyclopropa[f]isoquinolin-5-ium is sourced from PubChem (CID 162269712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).