3-(1-methylindol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol

C17H22N2O — CID 171956292

IUPAC3-(1-methylindol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCn1ccc2cc(C3(O)CC4CCCC(C3)N4)ccc21
InChIInChI=1S/C17H22N2O/c1-19-8-7-12-9-13(5-6-16(12)19)17(20)10-14-3-2-4-15(11-17)18-14/h5-9,14-15,18,20H,2-4,10-11H2,1H3
InChIKeyMNBMULNJYDCBKC-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.67
Rot. Bonds1

About 3-(1-methylindol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol

3-(1-methylindol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171956292) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(1-methylindol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-(1-methylindol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171956292
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(1-methylindol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCn1ccc2cc(C3(O)CC4CCCC(C3)N4)ccc21
InChIInChI=1S/C17H22N2O/c1-19-8-7-12-9-13(5-6-16(12)19)17(20)10-14-3-2-4-15(11-17)18-14/h5-9,14-15,18,20H,2-4,10-11H2,1H3
InChIKeyMNBMULNJYDCBKC-UHFFFAOYSA-N
XLogP2.67
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-methylindol-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171956282
3-(2-methyl-1,3-benzoxazol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171955950
3-(3-tert-butylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171955385
3-(3-fluoro-4-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961618
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963021
4-(3-hydroxy-9-azabicyclo[3.3.1]nonan-3-yl)benzonitrile
CID 171957923
1-(1-methylindol-5-yl)cyclobutane-1-carboxylic acid
CID 96802129
3-(3,5-dimethylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63588116
3-[3-methyl-4-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 171964053
3-(1-ethylpyrazol-4-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171964852
3-(3-propan-2-ylphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171961948
bis(1-methylindol-5-yl)borinic acid
CID 140671665

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-(1-methylindol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171956292) is 3-(1-methylindol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-(1-methylindol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-(1-methylindol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol is Cn1ccc2cc(C3(O)CC4CCCC(C3)N4)ccc21.
What is the InChIKey of 3-(1-methylindol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is MNBMULNJYDCBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-19-8-7-12-9-13(5-6-16(12)19)17(20)10-14-3-2-4-15(11-17)18-14/h5-9,14-15,18,20H,2-4,10-11H2,1H3.
What are the key properties of 3-(1-methylindol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol?
3-(1-methylindol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 270.38 g/mol, XLogP of 2.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-5-yl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171956292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).