5,5'-dimethyl-7-propylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione

C20H27N3O2+2 — CID 2230174

IUPAC5,5'-dimethyl-7-propylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione
SMILESCCCC12C[NH+]3CC(C)(C[NH+](C1)C31C(=O)Nc3ccc(C)cc31)C2=O
InChIInChI=1S/C20H25N3O2/c1-4-7-19-11-22-9-18(3,16(19)24)10-23(12-19)20(22)14-8-13(2)5-6-15(14)21-17(20)25/h5-6,8H,4,7,9-12H2,1-3H3,(H,21,25)/p+2
InChIKeyZOGPHOWVKSMFJZ-UHFFFAOYSA-P
MW341.46 g/mol
LogP-0.73
Rot. Bonds2

About 5,5'-dimethyl-7-propylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione

5,5'-dimethyl-7-propylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione (PubChem CID 2230174) has the molecular formula C20H27N3O2+2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 5,5'-dimethyl-7-propylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione.

Molecular Properties

Compound Name5,5'-dimethyl-7-propylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione
PubChem CID2230174
Molecular FormulaC20H27N3O2+2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name5,5'-dimethyl-7-propylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione
SMILESCCCC12C[NH+]3CC(C)(C[NH+](C1)C31C(=O)Nc3ccc(C)cc31)C2=O
InChIInChI=1S/C20H25N3O2/c1-4-7-19-11-22-9-18(3,16(19)24)10-23(12-19)20(22)14-8-13(2)5-6-15(14)21-17(20)25/h5-6,8H,4,7,9-12H2,1-3H3,(H,21,25)/p+2
InChIKeyZOGPHOWVKSMFJZ-UHFFFAOYSA-P
XLogP-0.73
TPSA55.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5,5'-dimethyl-7-propylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione with MolForge

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Related Compounds

5-butyl-1',5',7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
CID 2215330
5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione
CID 752763
(3S)-1',1'-dichloro-5-methylspiro[1H-indole-3,2'-cyclopropane]-2-one
CID 175639660
5,5,5'-trimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
CID 91448943
5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 156760180
(2'R,3R)-2'-(hydroxymethyl)-5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 52915747
4',4'-difluoro-5-methylspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 106702132
tert-butyl (3S)-3,5-dimethyl-2-oxo-1H-indole-3-carboxylate
CID 177465055
N-tert-butyl-4-(3-hydroxy-5-methyl-2-oxo-1H-indol-3-yl)benzenesulfonamide
CID 178047850
[1-(2-methoxy-5-methylphenyl)-3,3-dipropylcyclobutyl]methanamine
CID 65005141
(3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-5-methyl-1H-indol-2-one
CID 7333291
5-ethyl-7-methyl-2-(3-methylphenyl)-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-one
CID 7268957

Frequently Asked Questions

What is the IUPAC name of 5,5'-dimethyl-7-propylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
The IUPAC name of 5,5'-dimethyl-7-propylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione (CID 2230174) is 5,5'-dimethyl-7-propylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione.
What is the SMILES notation for 5,5'-dimethyl-7-propylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
The canonical SMILES for 5,5'-dimethyl-7-propylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione is CCCC12C[NH+]3CC(C)(C[NH+](C1)C31C(=O)Nc3ccc(C)cc31)C2=O.
What is the InChIKey of 5,5'-dimethyl-7-propylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
The InChIKey is ZOGPHOWVKSMFJZ-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H25N3O2/c1-4-7-19-11-22-9-18(3,16(19)24)10-23(12-19)20(22)14-8-13(2)5-6-15(14)21-17(20)25/h5-6,8H,4,7,9-12H2,1-3H3,(H,21,25)/p+2.
What are the key properties of 5,5'-dimethyl-7-propylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione?
5,5'-dimethyl-7-propylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione has a molecular weight of 341.46 g/mol, XLogP of -0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5'-dimethyl-7-propylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione is sourced from PubChem (CID 2230174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).