(1S,5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one

C9H15NO — CID 102234240

IUPAC(1S,5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCC1C(=O)C[C@H]2CC[C@@H]1N2C
InChIInChI=1S/C9H15NO/c1-6-8-4-3-7(10(8)2)5-9(6)11/h6-8H,3-5H2,1-2H3/t6?,7-,8+/m1/s1
InChIKeyYQGGMUJPXGWROQ-VVXQKDJTSA-N
MW153.22 g/mol
LogP1.06
Rot. Bonds

About (1S,5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one

(1S,5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one (PubChem CID 102234240) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (1S,5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one.

Molecular Properties

Compound Name(1S,5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one
PubChem CID102234240
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(1S,5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one
SMILESCC1C(=O)C[C@H]2CC[C@@H]1N2C
InChIInChI=1S/C9H15NO/c1-6-8-4-3-7(10(8)2)5-9(6)11/h6-8H,3-5H2,1-2H3/t6?,7-,8+/m1/s1
InChIKeyYQGGMUJPXGWROQ-VVXQKDJTSA-N
XLogP1.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one with MolForge

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Related Compounds

Tropinone
CID 446337
Npc164516
CID 79038
Tropinone hydrobromide
CID 3057566
8-Methyl-8-azabicyclo(3.2.1)octan-3-one--hydrogen chloride (1/1)
CID 199739
8-Ethyl-8-azabicyclo(3.2.1)octan-3-one
CID 272957
1-(3-Cyclohexyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl)-propan-1-one
CID 44458599
1-(3-Ethyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl)-propan-1-one
CID 44458623
8-Propyl-8-azabicyclo[3.2.1]octan-3-one
CID 23383579
2,8-Dimethyl-8-azabicyclo[3.2.1]octan-3-one
CID 54521676
(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide
CID 21115608
8-Isopropyl-3-nortropanone
CID 51416810
2-(1-Methylpyrrolidin-2-yl)cyclohexan-1-one
CID 71683276

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one?
The IUPAC name of (1S,5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one (CID 102234240) is (1S,5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one.
What is the SMILES notation for (1S,5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one?
The canonical SMILES for (1S,5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one is CC1C(=O)C[C@H]2CC[C@@H]1N2C.
What is the InChIKey of (1S,5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one?
The InChIKey is YQGGMUJPXGWROQ-VVXQKDJTSA-N. The full InChI is InChI=1S/C9H15NO/c1-6-8-4-3-7(10(8)2)5-9(6)11/h6-8H,3-5H2,1-2H3/t6?,7-,8+/m1/s1.
What are the key properties of (1S,5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one?
(1S,5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one has a molecular weight of 153.22 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-2,8-dimethyl-8-azabicyclo[3.2.1]octan-3-one is sourced from PubChem (CID 102234240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).