(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2,3-dihydroindole-1-carboxylate

C17H22N2O2 — CID 14809237

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2,3-dihydroindole-1-carboxylate
SMILESCN1C2CCC1CC(OC(=O)N1CCc3ccccc31)C2
InChIInChI=1S/C17H22N2O2/c1-18-13-6-7-14(18)11-15(10-13)21-17(20)19-9-8-12-4-2-3-5-16(12)19/h2-5,13-15H,6-11H2,1H3
InChIKeyHRDDTYIXDSCKMA-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.81
Rot. Bonds1

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2,3-dihydroindole-1-carboxylate

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2,3-dihydroindole-1-carboxylate (PubChem CID 14809237) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2,3-dihydroindole-1-carboxylate.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2,3-dihydroindole-1-carboxylate
PubChem CID14809237
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2,3-dihydroindole-1-carboxylate
SMILESCN1C2CCC1CC(OC(=O)N1CCc3ccccc31)C2
InChIInChI=1S/C17H22N2O2/c1-18-13-6-7-14(18)11-15(10-13)21-17(20)19-9-8-12-4-2-3-5-16(12)19/h2-5,13-15H,6-11H2,1H3
InChIKeyHRDDTYIXDSCKMA-UHFFFAOYSA-N
XLogP2.81
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2,3-dihydroindole-1-carboxylate?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2,3-dihydroindole-1-carboxylate (CID 14809237) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2,3-dihydroindole-1-carboxylate.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2,3-dihydroindole-1-carboxylate?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2,3-dihydroindole-1-carboxylate is CN1C2CCC1CC(OC(=O)N1CCc3ccccc31)C2.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2,3-dihydroindole-1-carboxylate?
The InChIKey is HRDDTYIXDSCKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-18-13-6-7-14(18)11-15(10-13)21-17(20)19-9-8-12-4-2-3-5-16(12)19/h2-5,13-15H,6-11H2,1H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2,3-dihydroindole-1-carboxylate?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2,3-dihydroindole-1-carboxylate has a molecular weight of 286.37 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2,3-dihydroindole-1-carboxylate is sourced from PubChem (CID 14809237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).