(1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one

C8H13NO2 — CID 129413407

IUPAC(1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one
SMILESC[C@]12CC[C@H](O)[C@H](C1)C(=O)N2
InChIInChI=1S/C8H13NO2/c1-8-3-2-6(10)5(4-8)7(11)9-8/h5-6,10H,2-4H2,1H3,(H,9,11)/t5-,6-,8-/m0/s1
InChIKeyXXHUIIKOCGONGK-HAFWLYHUSA-N
MW155.20 g/mol
LogP0.04
Rot. Bonds

About (1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one

(1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one (PubChem CID 129413407) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name(1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one
PubChem CID129413407
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one
SMILESC[C@]12CC[C@H](O)[C@H](C1)C(=O)N2
InChIInChI=1S/C8H13NO2/c1-8-3-2-6(10)5(4-8)7(11)9-8/h5-6,10H,2-4H2,1H3,(H,9,11)/t5-,6-,8-/m0/s1
InChIKeyXXHUIIKOCGONGK-HAFWLYHUSA-N
XLogP0.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S,5R)-2-amino-5-methyl-6-azabicyclo[3.2.1]octan-7-one
CID 124676728
(1R,5S)-5-methyl-6-azabicyclo[3.2.1]octan-7-one
CID 129413421
5-methyl-6-azabicyclo[3.2.1]octan-7-one
CID 119053641
3,3-dimethylcyclopentane-1,2-diol
CID 22245615
(1R,5R)-5-methyl-6-azabicyclo[3.2.1]octane-3,7-dione
CID 129413450
cis-(1R,2S)-2-amino-4,4-dimethylcyclohexan-1-ol
CID 55291251
6,6-dimethyl-3-propan-2-ylpiperidin-2-one
CID 157148346
(1S,2S,5R)-2-hydroxy-6-azabicyclo[3.2.1]octan-7-one
CID 129413410
3,3-dimethyl-6-azabicyclo[3.2.0]heptan-7-one
CID 130019879
2-hydroxy-6-azabicyclo[3.2.1]octan-7-one
CID 119053637
ethane;6-methyl-4-azaspiro[2.4]heptan-5-one
CID 168941939
4-hydroxy-1,2-dimethylbicyclo[3.2.1]octan-6-one
CID 14357181

Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one?
The IUPAC name of (1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one (CID 129413407) is (1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for (1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one?
The canonical SMILES for (1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one is C[C@]12CC[C@H](O)[C@H](C1)C(=O)N2.
What is the InChIKey of (1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one?
The InChIKey is XXHUIIKOCGONGK-HAFWLYHUSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8-3-2-6(10)5(4-8)7(11)9-8/h5-6,10H,2-4H2,1H3,(H,9,11)/t5-,6-,8-/m0/s1.
What are the key properties of (1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one?
(1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one has a molecular weight of 155.20 g/mol, XLogP of 0.04, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 129413407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).