(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide

C8H14BrNO — CID 21115608

IUPAC(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide
SMILESBr.CN1[C@@H]2CC[C@H]1CC(=O)C2
InChIInChI=1S/C8H13NO.BrH/c1-9-6-2-3-7(9)5-8(10)4-6;/h6-7H,2-5H2,1H3;1H/t6-,7+;
InChIKeyNFIYUASUOPYSJQ-UKMDXRBESA-N
MW220.11 g/mol
LogP1.39
Rot. Bonds

About (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide

(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide (PubChem CID 21115608) has the molecular formula C8H14BrNO and a molecular weight of 220.11 g/mol. Its IUPAC name is (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide.

Molecular Properties

Compound Name(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide
PubChem CID21115608
Molecular FormulaC8H14BrNO
Molecular Weight220.11 g/mol
Exact Mass219.03
IUPAC Name(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide
SMILESBr.CN1[C@@H]2CC[C@H]1CC(=O)C2
InChIInChI=1S/C8H13NO.BrH/c1-9-6-2-3-7(9)5-8(10)4-6;/h6-7H,2-5H2,1H3;1H/t6-,7+;
InChIKeyNFIYUASUOPYSJQ-UKMDXRBESA-N
XLogP1.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tropinone
CID 446337
Hygrine
CID 440933
Npc164516
CID 79038
Tropiniumone
CID 698003
1-(1-Methylpyrrolidin-2-yl)acetone
CID 94157
Tropinone hydrobromide
CID 3057566
1-((2S)-1-Methyl-2-pyrrolidinyl)-2-propanone
CID 443144
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
3-Oxo-8-azabicyclo[3.2.1]octane-8-carbonitrile
CID 384304
8-Cyclopropyl-8-azabicyclo(3.2.1)octan-3-one
CID 20482473
8-Propyl-8-azabicyclo[3.2.1]octan-3-one
CID 23383579

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide?
The IUPAC name of (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide (CID 21115608) is (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide.
What is the SMILES notation for (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide?
The canonical SMILES for (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide is Br.CN1[C@@H]2CC[C@H]1CC(=O)C2.
What is the InChIKey of (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide?
The InChIKey is NFIYUASUOPYSJQ-UKMDXRBESA-N. The full InChI is InChI=1S/C8H13NO.BrH/c1-9-6-2-3-7(9)5-8(10)4-6;/h6-7H,2-5H2,1H3;1H/t6-,7+;.
What are the key properties of (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide?
(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide has a molecular weight of 220.11 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-one;hydrobromide is sourced from PubChem (CID 21115608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).