1-methyl-2-(7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-8-yl)pyridin-1-ium

C18H20NO+ — CID 140899490

IUPAC1-methyl-2-(7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-8-yl)pyridin-1-ium
SMILESCc1ccc2c(c1-c1cccc[n+]1C)OCCC21CC1
InChIInChI=1S/C18H20NO/c1-13-6-7-14-17(20-12-10-18(14)8-9-18)16(13)15-5-3-4-11-19(15)2/h3-7,11H,8-10,12H2,1-2H3/q+1
InChIKeyBEVUEYKVZQFRFV-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.30
Rot. Bonds1

About 1-methyl-2-(7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-8-yl)pyridin-1-ium

1-methyl-2-(7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-8-yl)pyridin-1-ium (PubChem CID 140899490) has the molecular formula C18H20NO+ and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-methyl-2-(7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-8-yl)pyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-8-yl)pyridin-1-ium
PubChem CID140899490
Molecular FormulaC18H20NO+
Molecular Weight266.36 g/mol
Exact Mass266.15
IUPAC Name1-methyl-2-(7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-8-yl)pyridin-1-ium
SMILESCc1ccc2c(c1-c1cccc[n+]1C)OCCC21CC1
InChIInChI=1S/C18H20NO/c1-13-6-7-14-17(20-12-10-18(14)8-9-18)16(13)15-5-3-4-11-19(15)2/h3-7,11H,8-10,12H2,1-2H3/q+1
InChIKeyBEVUEYKVZQFRFV-UHFFFAOYSA-N
XLogP3.30
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-(7-methylspiro[2,3-dihydrochromene-4,1'-cyclohexane]-8-yl)pyridin-1-ium
CID 140899479
1-methyl-2-(6-methyl-2,3-dihydro-1-benzofuran-7-yl)pyridin-1-ium
CID 140899480
1-methyl-2-(3,3,6-trimethylspiro[1-benzofuran-2,1'-cyclohexane]-7-yl)pyridin-1-ium
CID 140899520
1-methyl-2-(3,9,9-trimethylxanthen-4-yl)pyridin-1-ium
CID 140839454
CID 140899476
CID 140899476
1-methyl-2-(1,1,3,3,5-pentamethyl-2H-inden-4-yl)pyridin-1-ium
CID 177075093
CID 159531954
CID 159531954
1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium
CID 159863789
2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium
CID 140800379
2-(6-deuterio-3,9,9-trimethylfluoren-4-yl)-1-methylpyridin-1-ium
CID 162063362
trimethyl-[7-methyl-6-(1-methylpyridin-1-ium-2-yl)-4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)dibenzofuran-3-yl]silane
CID 166051804
2-[6-(3,4-dihydro-2H-chromen-8-yl)-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051318

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-8-yl)pyridin-1-ium?
The IUPAC name of 1-methyl-2-(7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-8-yl)pyridin-1-ium (CID 140899490) is 1-methyl-2-(7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-8-yl)pyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-8-yl)pyridin-1-ium?
The canonical SMILES for 1-methyl-2-(7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-8-yl)pyridin-1-ium is Cc1ccc2c(c1-c1cccc[n+]1C)OCCC21CC1.
What is the InChIKey of 1-methyl-2-(7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-8-yl)pyridin-1-ium?
The InChIKey is BEVUEYKVZQFRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20NO/c1-13-6-7-14-17(20-12-10-18(14)8-9-18)16(13)15-5-3-4-11-19(15)2/h3-7,11H,8-10,12H2,1-2H3/q+1.
What are the key properties of 1-methyl-2-(7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-8-yl)pyridin-1-ium?
1-methyl-2-(7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-8-yl)pyridin-1-ium has a molecular weight of 266.36 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(7-methylspiro[2,3-dihydrochromene-4,1'-cyclopropane]-8-yl)pyridin-1-ium is sourced from PubChem (CID 140899490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).