(1S,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,7-dione

C9H13NO2 — CID 14396551

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

About (1S,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,7-dione

(1S,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,7-dione (PubChem CID 14396551) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (1S,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,7-dione.

Molecular Properties

Compound Name(1S,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,7-dione
PubChem CID14396551
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(1S,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,7-dione
SMILESCN1C(=O)C[C@H]2CC(=O)C[C@@H]1C2
InChIInChI=1S/C9H13NO2/c1-10-7-2-6(4-9(10)12)3-8(11)5-7/h6-7H,2-5H2,1H3/t6-,7+/m1/s1
InChIKeyRJXKQLHBNCMXCM-RQJHMYQMSA-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
1-Azabicyclo[3.3.1]nonane-2,6-dione
CID 101822096
(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-3-one
CID 10582975
(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
2-(2-Chloroacetyl)-2-azabicyclo[3.3.1]nonan-7-one
CID 21634578
2-Methyl-2-azabicyclo[3.3.1]nonane-3,6-dione
CID 58375017
1-(4-Acetylcyclohexyl)piperidin-2-one
CID 58664390
1-methyl-4,4a,6,7,8,8a-hexahydro-3H-quinoline-2,5-dione
CID 67855379
2-Propan-2-yl-2-azabicyclo[3.3.1]nonan-7-one
CID 122592785
(4aS,8aS)-1-methyl-4,4a,5,6,8,8a-hexahydro-3H-quinoline-2,7-dione
CID 10943079

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,7-dione?
The IUPAC name of (1S,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,7-dione (CID 14396551) is (1S,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,7-dione.
What is the SMILES notation for (1S,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,7-dione?
The canonical SMILES for (1S,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,7-dione is CN1C(=O)C[C@H]2CC(=O)C[C@@H]1C2.
What is the InChIKey of (1S,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,7-dione?
The InChIKey is RJXKQLHBNCMXCM-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H13NO2/c1-10-7-2-6(4-9(10)12)3-8(11)5-7/h6-7H,2-5H2,1H3/t6-,7+/m1/s1.
What are the key properties of (1S,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,7-dione?
(1S,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,7-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 (1S,5R)-2-methyl-2-azabicyclo[3.3.1]nonane-3,7-dione is sourced from PubChem (CID 14396551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).