5,7-dimethyl-2-(1-methylindol-2-yl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one

C19H25N3O+2 — CID 7299675

IUPAC5,7-dimethyl-2-(1-methylindol-2-yl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
SMILESCn1c(C2[NH+]3CC4(C)C[NH+]2CC(C)(C3)C4=O)cc2ccccc21
InChIInChI=1S/C19H23N3O/c1-18-9-21-11-19(2,17(18)23)12-22(10-18)16(21)15-8-13-6-4-5-7-14(13)20(15)3/h4-8,16H,9-12H2,1-3H3/p+2
InChIKeyRWWMMLQDGONUAS-UHFFFAOYSA-P
MW311.43 g/mol
LogP-0.43
Rot. Bonds1

About 5,7-dimethyl-2-(1-methylindol-2-yl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one

5,7-dimethyl-2-(1-methylindol-2-yl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 7299675) has the molecular formula C19H25N3O+2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 5,7-dimethyl-2-(1-methylindol-2-yl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name5,7-dimethyl-2-(1-methylindol-2-yl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
PubChem CID7299675
Molecular FormulaC19H25N3O+2
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name5,7-dimethyl-2-(1-methylindol-2-yl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
SMILESCn1c(C2[NH+]3CC4(C)C[NH+]2CC(C)(C3)C4=O)cc2ccccc21
InChIInChI=1S/C19H23N3O/c1-18-9-21-11-19(2,17(18)23)12-22(10-18)16(21)15-8-13-6-4-5-7-14(13)20(15)3/h4-8,16H,9-12H2,1-3H3/p+2
InChIKeyRWWMMLQDGONUAS-UHFFFAOYSA-P
XLogP-0.43
TPSA30.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5,7-dimethyl-2-(1-methylindol-2-yl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one with MolForge

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Related Compounds

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CID 113087981
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CID 4606769
methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 113087974
7-hydroxy-6-methyl-4-(1-methylindol-2-yl)-3,4-dihydro-1H-quinolin-2-one
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(4-fluorophenyl)-[4-(1-methylindol-2-yl)piperidin-1-yl]methanone
CID 113087934
1-methyl-2-[(3S)-piperidin-3-yl]indole
CID 124505211
CID 175336040
CID 175336040
3-cyclooctyl-1-methylquinolin-2-one
CID 166438845
cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088482
(4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088434
1-methyl-3-(4-oxocyclohexyl)quinolin-2-one
CID 116985109
(10R)-10-methyl-9-(1-methylindol-2-yl)-1-azatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 137454887

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-(1-methylindol-2-yl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 5,7-dimethyl-2-(1-methylindol-2-yl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one (CID 7299675) is 5,7-dimethyl-2-(1-methylindol-2-yl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 5,7-dimethyl-2-(1-methylindol-2-yl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 5,7-dimethyl-2-(1-methylindol-2-yl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one is Cn1c(C2[NH+]3CC4(C)C[NH+]2CC(C)(C3)C4=O)cc2ccccc21.
What is the InChIKey of 5,7-dimethyl-2-(1-methylindol-2-yl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is RWWMMLQDGONUAS-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H23N3O/c1-18-9-21-11-19(2,17(18)23)12-22(10-18)16(21)15-8-13-6-4-5-7-14(13)20(15)3/h4-8,16H,9-12H2,1-3H3/p+2.
What are the key properties of 5,7-dimethyl-2-(1-methylindol-2-yl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one?
5,7-dimethyl-2-(1-methylindol-2-yl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 311.43 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-(1-methylindol-2-yl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 7299675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).