[(1R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 1H-indole-3-carboxylate

C17H20N2O2 — CID 23376538

IUPAC[(1R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 1H-indole-3-carboxylate
SMILESCN1[C@@H]2CCC[C@H]1[C@H](OC(=O)c1c[nH]c3ccccc13)C2
InChIInChI=1S/C17H20N2O2/c1-19-11-5-4-8-15(19)16(9-11)21-17(20)13-10-18-14-7-3-2-6-12(13)14/h2-3,6-7,10-11,15-16,18H,4-5,8-9H2,1H3/t11-,15+,16-/m1/s1
InChIKeyDTXKFCSQPGVUOP-XFBWCDHKSA-N
MW284.36 g/mol
LogP2.95
Rot. Bonds2

About [(1R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 1H-indole-3-carboxylate

[(1R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 1H-indole-3-carboxylate (PubChem CID 23376538) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is [(1R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[(1R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 1H-indole-3-carboxylate
PubChem CID23376538
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name[(1R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 1H-indole-3-carboxylate
SMILESCN1[C@@H]2CCC[C@H]1[C@H](OC(=O)c1c[nH]c3ccccc13)C2
InChIInChI=1S/C17H20N2O2/c1-19-11-5-4-8-15(19)16(9-11)21-17(20)13-10-18-14-7-3-2-6-12(13)14/h2-3,6-7,10-11,15-16,18H,4-5,8-9H2,1H3/t11-,15+,16-/m1/s1
InChIKeyDTXKFCSQPGVUOP-XFBWCDHKSA-N
XLogP2.95
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 1H-indole-3-carboxylate with MolForge

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Related Compounds

methanesulfonic acid;[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
CID 57330916
[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 6-deuterio-1H-indole-3-carboxylate
CID 89080439
2-hydroxypropane-1,2,3-tricarboxylic acid;[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
CID 164512876
[(5S)-10-oxo-12-azatricyclo[7.3.0.03,12]dodecan-5-yl] 1H-indole-3-carboxylate
CID 70314846
[8-(1,1-dideuterioethyl)-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
CID 89080474
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-hydroxy-1H-indole-3-carboxylate
CID 154699579
(1,6-dimethylpiperidin-2-yl)methyl 1H-indole-3-carboxylate
CID 54523063
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 5-fluoro-1H-indole-3-carboxylate
CID 14578818
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 4,6-dideuterio-1H-indole-3-carboxylate
CID 45280622
1-azatricyclo[3.3.1.13,7]decan-4-yl 1H-indole-3-carboxylate
CID 25050290
[(3S,7R,10R)-10-hydroxy-8-azatricyclo[5.3.1.03,8]undecan-5-yl] 1H-indole-3-carboxylate
CID 91617591
[(1S,5R)-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octan-3-yl] 6,7-dideuterio-1H-indole-3-carboxylate
CID 45280388

Frequently Asked Questions

What is the IUPAC name of [(1R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 1H-indole-3-carboxylate?
The IUPAC name of [(1R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 1H-indole-3-carboxylate (CID 23376538) is [(1R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 1H-indole-3-carboxylate.
What is the SMILES notation for [(1R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 1H-indole-3-carboxylate?
The canonical SMILES for [(1R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 1H-indole-3-carboxylate is CN1[C@@H]2CCC[C@H]1[C@H](OC(=O)c1c[nH]c3ccccc13)C2.
What is the InChIKey of [(1R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 1H-indole-3-carboxylate?
The InChIKey is DTXKFCSQPGVUOP-XFBWCDHKSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-19-11-5-4-8-15(19)16(9-11)21-17(20)13-10-18-14-7-3-2-6-12(13)14/h2-3,6-7,10-11,15-16,18H,4-5,8-9H2,1H3/t11-,15+,16-/m1/s1.
What are the key properties of [(1R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 1H-indole-3-carboxylate?
[(1R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 1H-indole-3-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 1H-indole-3-carboxylate is sourced from PubChem (CID 23376538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).