5-methyl-2-(2-methylphenyl)-7-propyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one

C19H28N2O+2 — CID 5157785

IUPAC5-methyl-2-(2-methylphenyl)-7-propyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
SMILESCCCC12C[NH+]3CC(C)(C[NH+](C1)C3c1ccccc1C)C2=O
InChIInChI=1S/C19H26N2O/c1-4-9-19-12-20-10-18(3,17(19)22)11-21(13-19)16(20)15-8-6-5-7-14(15)2/h5-8,16H,4,9-13H2,1-3H3/p+2
InChIKeyGKWWCLCVBBBBIG-UHFFFAOYSA-P
MW300.45 g/mol
LogP0.17
Rot. Bonds3

About 5-methyl-2-(2-methylphenyl)-7-propyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one

5-methyl-2-(2-methylphenyl)-7-propyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 5157785) has the molecular formula C19H28N2O+2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 5-methyl-2-(2-methylphenyl)-7-propyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name5-methyl-2-(2-methylphenyl)-7-propyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
PubChem CID5157785
Molecular FormulaC19H28N2O+2
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name5-methyl-2-(2-methylphenyl)-7-propyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
SMILESCCCC12C[NH+]3CC(C)(C[NH+](C1)C3c1ccccc1C)C2=O
InChIInChI=1S/C19H26N2O/c1-4-9-19-12-20-10-18(3,17(19)22)11-21(13-19)16(20)15-8-6-5-7-14(15)2/h5-8,16H,4,9-13H2,1-3H3/p+2
InChIKeyGKWWCLCVBBBBIG-UHFFFAOYSA-P
XLogP0.17
TPSA25.95 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylphenyl)-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 3402510
5-methyl-2-(2-nitrophenyl)-7-propyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 7335420
2-(2-chlorophenyl)-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 7718579
5-methyl-7-propyl-2-(1,2,3,4-tetrahydroxybutyl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 3569153
2-(4-nitrophenyl)-5,7-dipropyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 7112397
5-ethyl-7-methyl-2-(2-methylphenyl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 6485518
2,2-dimethyl-3-(2-methylphenyl)cyclopentan-1-one
CID 102201716
5,5'-dimethyl-7-propylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione
CID 2230174
2-cyclobutyl-7-methylcyclohepta-2,4,6-trien-1-one
CID 157060822
1-ethyl-4-(2-methylphenyl)imidazolidin-2-one
CID 116981049
2-(2-chlorophenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
CID 1234723
4-methyl-3-(2-methylphenyl)-4-pentylpiperidine-2,6-dione
CID 80558882

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylphenyl)-7-propyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 5-methyl-2-(2-methylphenyl)-7-propyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one (CID 5157785) is 5-methyl-2-(2-methylphenyl)-7-propyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 5-methyl-2-(2-methylphenyl)-7-propyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 5-methyl-2-(2-methylphenyl)-7-propyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one is CCCC12C[NH+]3CC(C)(C[NH+](C1)C3c1ccccc1C)C2=O.
What is the InChIKey of 5-methyl-2-(2-methylphenyl)-7-propyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is GKWWCLCVBBBBIG-UHFFFAOYSA-P. The full InChI is InChI=1S/C19H26N2O/c1-4-9-19-12-20-10-18(3,17(19)22)11-21(13-19)16(20)15-8-6-5-7-14(15)2/h5-8,16H,4,9-13H2,1-3H3/p+2.
What are the key properties of 5-methyl-2-(2-methylphenyl)-7-propyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one?
5-methyl-2-(2-methylphenyl)-7-propyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 300.45 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylphenyl)-7-propyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 5157785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).