(1R,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,8-dione

C9H13NO2 — CID 131019664

IUPAC(1R,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,8-dione
SMILESCN1C(=O)C[C@@H]2CCC(=O)[C@H]1C2
InChIInChI=1S/C9H13NO2/c1-10-7-4-6(5-9(10)12)2-3-8(7)11/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyCIMXAIBVLLZLAV-RNFRBKRXSA-N
MW167.21 g/mol
LogP0.59
Rot. Bonds

About (1R,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,8-dione

(1R,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,8-dione (PubChem CID 131019664) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (1R,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,8-dione.

Molecular Properties

Compound Name(1R,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,8-dione
PubChem CID131019664
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(1R,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,8-dione
SMILESCN1C(=O)C[C@@H]2CCC(=O)[C@H]1C2
InChIInChI=1S/C9H13NO2/c1-10-7-4-6(5-9(10)12)2-3-8(7)11/h6-7H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyCIMXAIBVLLZLAV-RNFRBKRXSA-N
XLogP0.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-2-azabicyclo[3.3.1]nonan-7-one
CID 12380050
4-Ethyl-4-azabicyclo[3.3.1]nonan-3-one
CID 269578
Tert-butyl 8-oxo-2-azabicyclo[3.3.1]nonane-2-carboxylate
CID 102452240
(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-3-one
CID 10582975
(1S,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,7-dione
CID 14396551
(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-8-one
CID 131180143
methyl (1R,5R)-6-oxo-2-azabicyclo[3.3.1]nonane-2-carboxylate
CID 134834591
(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one
CID 134858420
(1S,5R)-2-methyl-2-azabicyclo[3.3.1]nonan-3-one
CID 176430519
1-[2-(Cyclohexanecarbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 57632820
2-Methyl-2-azabicyclo[3.3.1]nonane-3,6-dione
CID 58375017
1-(4-Acetylcyclohexyl)piperidin-2-one
CID 58664390

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,8-dione?
The IUPAC name of (1R,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,8-dione (CID 131019664) is (1R,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,8-dione.
What is the SMILES notation for (1R,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,8-dione?
The canonical SMILES for (1R,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,8-dione is CN1C(=O)C[C@@H]2CCC(=O)[C@H]1C2.
What is the InChIKey of (1R,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,8-dione?
The InChIKey is CIMXAIBVLLZLAV-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H13NO2/c1-10-7-4-6(5-9(10)12)2-3-8(7)11/h6-7H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of (1R,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,8-dione?
(1R,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,8-dione has a molecular weight of 167.21 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,8-dione is sourced from PubChem (CID 131019664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).