1-(3-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)ethanone

C11H19NO2 — CID 130150427

IUPAC1-(3-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)ethanone
SMILESCC(=O)N1C2CC(C)CC1CC(O)C2
InChIInChI=1S/C11H19NO2/c1-7-3-9-5-11(14)6-10(4-7)12(9)8(2)13/h7,9-11,14H,3-6H2,1-2H3
InChIKeyDIXHXWTZFHZWBQ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.16
Rot. Bonds

About 1-(3-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)ethanone

1-(3-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)ethanone (PubChem CID 130150427) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(3-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)ethanone
PubChem CID130150427
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(3-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)ethanone
SMILESCC(=O)N1C2CC(C)CC1CC(O)C2
InChIInChI=1S/C11H19NO2/c1-7-3-9-5-11(14)6-10(4-7)12(9)8(2)13/h7,9-11,14H,3-6H2,1-2H3
InChIKeyDIXHXWTZFHZWBQ-UHFFFAOYSA-N
XLogP1.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)ethanone
CID 13221036
cis-(3S,7R)-3,5,7-trimethylcyclooctan-1-ol
CID 130964756
2,2,2-trifluoro-1-[(1R,5S)-3-hydroxy-6-azabicyclo[3.1.1]heptan-6-yl]ethanone
CID 167724218
1-(8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 158227486
tert-butyl (5S)-3-hydroxy-6-azabicyclo[3.1.1]heptane-6-carboxylate
CID 176763808
formic acid;3-methylcyclobutan-1-ol
CID 175459565
3-hydroxy-N-methyl-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 78955075
1-(3-tert-butyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 70825449
(1S,5S)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxamide
CID 141143444
1-[(2R,5R)-2,5-dimethylpyrrolidin-1-yl]ethanone;ethane
CID 145255131
(2-amino-5-methylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 65455684
[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate
CID 67582047

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)ethanone?
The IUPAC name of 1-(3-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)ethanone (CID 130150427) is 1-(3-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)ethanone.
What is the SMILES notation for 1-(3-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)ethanone?
The canonical SMILES for 1-(3-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)ethanone is CC(=O)N1C2CC(C)CC1CC(O)C2.
What is the InChIKey of 1-(3-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)ethanone?
The InChIKey is DIXHXWTZFHZWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-7-3-9-5-11(14)6-10(4-7)12(9)8(2)13/h7,9-11,14H,3-6H2,1-2H3.
What are the key properties of 1-(3-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)ethanone?
1-(3-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)ethanone has a molecular weight of 197.28 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-7-methyl-9-azabicyclo[3.3.1]nonan-9-yl)ethanone is sourced from PubChem (CID 130150427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).