5-butyl-1',5',7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione

C22H31N3O2+2 — CID 2215330

IUPAC5-butyl-1',5',7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
SMILESCCCCC12C[NH+]3CC(C)(C[NH+](C1)C31C(=O)N(C)c3ccc(C)cc31)C2=O
InChIInChI=1S/C22H29N3O2/c1-5-6-9-21-13-24-11-20(3,18(21)26)12-25(14-21)22(24)16-10-15(2)7-8-17(16)23(4)19(22)27/h7-8,10H,5-6,9,11-14H2,1-4H3/p+2
InChIKeySYJGSHWCKLKMHW-UHFFFAOYSA-P
MW369.51 g/mol
LogP-0.31
Rot. Bonds3

About 5-butyl-1',5',7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione

5-butyl-1',5',7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione (PubChem CID 2215330) has the molecular formula C22H31N3O2+2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 5-butyl-1',5',7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione.

Molecular Properties

Compound Name5-butyl-1',5',7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
PubChem CID2215330
Molecular FormulaC22H31N3O2+2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name5-butyl-1',5',7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
SMILESCCCCC12C[NH+]3CC(C)(C[NH+](C1)C31C(=O)N(C)c3ccc(C)cc31)C2=O
InChIInChI=1S/C22H29N3O2/c1-5-6-9-21-13-24-11-20(3,18(21)26)12-25(14-21)22(24)16-10-15(2)7-8-17(16)23(4)19(22)27/h7-8,10H,5-6,9,11-14H2,1-4H3/p+2
InChIKeySYJGSHWCKLKMHW-UHFFFAOYSA-P
XLogP-0.31
TPSA46.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-butyl-1',5',7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione with MolForge

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Related Compounds

5,5'-dimethyl-7-propylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-1H-indole]-2',6-dione
CID 2230174
ethyl 1,3,5-trimethyl-2-oxoindole-3-carboxylate
CID 56945773
3,3,5-trimethyl-1-propylindol-2-one
CID 69481776
N-butyl-1,3,3-trimethyl-2-oxoindole-5-sulfonamide
CID 22582606
3-butyl-3,5-dimethyl-1,2-dihydroindene
CID 59994805
1,3,5-trimethyl-3-(triphenylsilylmethyl)indol-2-one
CID 122403973
1',5'-dimethylspiro[cyclopentane-1,3'-indole]-2'-one;1',5'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1',6'-dimethylspiro[cyclopropane-1,3'-indole]-2'-one;1,3,3,5-tetramethylindol-2-one
CID 161024534
1'-hexyl-5'-methylspiro[1,3-dioxane-2,3'-indole]-2'-one
CID 18889419
1-butyl-3-hydroxy-5-methyl-3-(2-oxopropyl)indol-2-one
CID 18888271
5-(1-hydroxypentyl)-1,3,3-trimethylindol-2-one
CID 82172354
3-benzyl-3-hydroxy-1,5-dimethylindol-2-one
CID 10912492
4-amino-1,4,6-trimethylquinoline-2,3-dione
CID 70795785

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1',5',7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
The IUPAC name of 5-butyl-1',5',7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione (CID 2215330) is 5-butyl-1',5',7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione.
What is the SMILES notation for 5-butyl-1',5',7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
The canonical SMILES for 5-butyl-1',5',7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione is CCCCC12C[NH+]3CC(C)(C[NH+](C1)C31C(=O)N(C)c3ccc(C)cc31)C2=O.
What is the InChIKey of 5-butyl-1',5',7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
The InChIKey is SYJGSHWCKLKMHW-UHFFFAOYSA-P. The full InChI is InChI=1S/C22H29N3O2/c1-5-6-9-21-13-24-11-20(3,18(21)26)12-25(14-21)22(24)16-10-15(2)7-8-17(16)23(4)19(22)27/h7-8,10H,5-6,9,11-14H2,1-4H3/p+2.
What are the key properties of 5-butyl-1',5',7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
5-butyl-1',5',7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione has a molecular weight of 369.51 g/mol, XLogP of -0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1',5',7-trimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione is sourced from PubChem (CID 2215330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).