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

C22H29N3O2 — CID 2215331

IUPAC5-butyl-1',5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
SMILESCCCCC12CN3CC(C)(CN(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
InChIKeySYJGSHWCKLKMHW-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.52
Rot. Bonds3

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

5-butyl-1',5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione (PubChem CID 2215331) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 5-butyl-1',5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione.

Molecular Properties

Compound Name5-butyl-1',5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
PubChem CID2215331
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name5-butyl-1',5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione
SMILESCCCCC12CN3CC(C)(CN(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
InChIKeySYJGSHWCKLKMHW-UHFFFAOYSA-N
XLogP2.52
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1',5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
The IUPAC name of 5-butyl-1',5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione (CID 2215331) is 5-butyl-1',5',7-trimethylspiro[1,3-diazatricyclo[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-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
The canonical SMILES for 5-butyl-1',5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione is CCCCC12CN3CC(C)(CN(C1)C31C(=O)N(C)c3ccc(C)cc31)C2=O.
What is the InChIKey of 5-butyl-1',5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
The InChIKey is SYJGSHWCKLKMHW-UHFFFAOYSA-N. 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.
What are the key properties of 5-butyl-1',5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione?
5-butyl-1',5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione has a molecular weight of 367.49 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1',5',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-indole]-2',6-dione is sourced from PubChem (CID 2215331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).