1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one

C24H27N3O — CID 1082245

IUPAC1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one
SMILESCC12CN3CC(C)(CN(C1)C31CN(Cc3ccccc3)c3ccccc31)C2=O
InChIInChI=1S/C24H27N3O/c1-22-13-26-15-23(2,21(22)28)16-27(14-22)24(26)17-25(12-18-8-4-3-5-9-18)20-11-7-6-10-19(20)24/h3-11H,12-17H2,1-2H3
InChIKeyIGUPMYRDGQOPSW-UHFFFAOYSA-N
MW373.50 g/mol
LogP3.09
Rot. Bonds2

About 1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one

1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one (PubChem CID 1082245) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one.

Molecular Properties

Compound Name1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one
PubChem CID1082245
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one
SMILESCC12CN3CC(C)(CN(C1)C31CN(Cc3ccccc3)c3ccccc31)C2=O
InChIInChI=1S/C24H27N3O/c1-22-13-26-15-23(2,21(22)28)16-27(14-22)24(26)17-25(12-18-8-4-3-5-9-18)20-11-7-6-10-19(20)24/h3-11H,12-17H2,1-2H3
InChIKeyIGUPMYRDGQOPSW-UHFFFAOYSA-N
XLogP3.09
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one?
The IUPAC name of 1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one (CID 1082245) is 1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one.
What is the SMILES notation for 1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one?
The canonical SMILES for 1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one is CC12CN3CC(C)(CN(C1)C31CN(Cc3ccccc3)c3ccccc31)C2=O.
What is the InChIKey of 1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one?
The InChIKey is IGUPMYRDGQOPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-22-13-26-15-23(2,21(22)28)16-27(14-22)24(26)17-25(12-18-8-4-3-5-9-18)20-11-7-6-10-19(20)24/h3-11H,12-17H2,1-2H3.
What are the key properties of 1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one?
1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one has a molecular weight of 373.50 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-5,7-dimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,3'-2H-indole]-6-one is sourced from PubChem (CID 1082245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).