(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-hydroxy-1H-indole-3-carboxylate

C17H20N2O3 — CID 154699579

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-hydroxy-1H-indole-3-carboxylate
SMILESCN1C2CCC1CC(OC(=O)c1c[nH]c3cc(O)ccc13)C2
InChIInChI=1S/C17H20N2O3/c1-19-10-2-3-11(19)7-13(6-10)22-17(21)15-9-18-16-8-12(20)4-5-14(15)16/h4-5,8-11,13,18,20H,2-3,6-7H2,1H3
InChIKeyDXYYGLSZCCPMDV-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.66
Rot. Bonds2

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-hydroxy-1H-indole-3-carboxylate

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-hydroxy-1H-indole-3-carboxylate (PubChem CID 154699579) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-hydroxy-1H-indole-3-carboxylate.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-hydroxy-1H-indole-3-carboxylate
PubChem CID154699579
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-hydroxy-1H-indole-3-carboxylate
SMILESCN1C2CCC1CC(OC(=O)c1c[nH]c3cc(O)ccc13)C2
InChIInChI=1S/C17H20N2O3/c1-19-10-2-3-11(19)7-13(6-10)22-17(21)15-9-18-16-8-12(20)4-5-14(15)16/h4-5,8-11,13,18,20H,2-3,6-7H2,1H3
InChIKeyDXYYGLSZCCPMDV-UHFFFAOYSA-N
XLogP2.66
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 5-fluoro-1H-indole-3-carboxylate
CID 14578818
[(5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 6-deuterio-1H-indole-3-carboxylate
CID 89080439
methanesulfonic acid;[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
CID 57330916
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 4,6-dideuterio-1H-indole-3-carboxylate
CID 45280622
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1H-pyrrolo[2,3-b]pyridine-3-carboxylate
CID 75059242
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
[(1S,5R)-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octan-3-yl] 6,7-dideuterio-1H-indole-3-carboxylate
CID 45280388
[8-(1,1-dideuterioethyl)-8-azabicyclo[3.2.1]octan-3-yl] 1H-indole-3-carboxylate
CID 89080474
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2,6,7-trideuterio-1H-indole-3-carboxylate
CID 45280332
[(1R,5S,6R)-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] 1H-indole-3-carboxylate
CID 23376538
[(1S,5R)-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octan-3-yl] 4,5,7-trideuterio-1H-indole-3-carboxylate
CID 45280446
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2,4-dichlorobenzoate
CID 13293303

Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-hydroxy-1H-indole-3-carboxylate?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-hydroxy-1H-indole-3-carboxylate (CID 154699579) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-hydroxy-1H-indole-3-carboxylate.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-hydroxy-1H-indole-3-carboxylate?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-hydroxy-1H-indole-3-carboxylate is CN1C2CCC1CC(OC(=O)c1c[nH]c3cc(O)ccc13)C2.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-hydroxy-1H-indole-3-carboxylate?
The InChIKey is DXYYGLSZCCPMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-19-10-2-3-11(19)7-13(6-10)22-17(21)15-9-18-16-8-12(20)4-5-14(15)16/h4-5,8-11,13,18,20H,2-3,6-7H2,1H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-hydroxy-1H-indole-3-carboxylate?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-hydroxy-1H-indole-3-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 6-hydroxy-1H-indole-3-carboxylate is sourced from PubChem (CID 154699579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).