(1R,5R)-5-methyl-6-azabicyclo[3.2.1]octane-3,7-dione

C8H11NO2 — CID 129413450

IUPAC(1R,5R)-5-methyl-6-azabicyclo[3.2.1]octane-3,7-dione
SMILESC[C@]12CC(=O)C[C@@H](C1)C(=O)N2
InChIInChI=1S/C8H11NO2/c1-8-3-5(7(11)9-8)2-6(10)4-8/h5H,2-4H2,1H3,(H,9,11)/t5-,8+/m0/s1
InChIKeyWPINBECUUSCHDY-YLWLKBPMSA-N
MW153.18 g/mol
LogP0.24
Rot. Bonds

About (1R,5R)-5-methyl-6-azabicyclo[3.2.1]octane-3,7-dione

(1R,5R)-5-methyl-6-azabicyclo[3.2.1]octane-3,7-dione (PubChem CID 129413450) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (1R,5R)-5-methyl-6-azabicyclo[3.2.1]octane-3,7-dione.

Molecular Properties

Compound Name(1R,5R)-5-methyl-6-azabicyclo[3.2.1]octane-3,7-dione
PubChem CID129413450
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(1R,5R)-5-methyl-6-azabicyclo[3.2.1]octane-3,7-dione
SMILESC[C@]12CC(=O)C[C@@H](C1)C(=O)N2
InChIInChI=1S/C8H11NO2/c1-8-3-5(7(11)9-8)2-6(10)4-8/h5H,2-4H2,1H3,(H,9,11)/t5-,8+/m0/s1
InChIKeyWPINBECUUSCHDY-YLWLKBPMSA-N
XLogP0.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
1,5,7-trimethyl-9-azabicyclo[3.3.1]nonan-3-one
CID 71364829
methane;1-methylbicyclo[3.1.0]hexan-3-one
CID 161056002
1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-one
CID 13449492
(1R,2S,5R)-2-amino-5-methyl-6-azabicyclo[3.2.1]octan-7-one
CID 124676728
(1S,2S,5S)-2-hydroxy-5-methyl-6-azabicyclo[3.2.1]octan-7-one
CID 129413407
(6R)-2,2,6-trimethylcyclohexane-1,4-dione
CID 10176229
2,2,6-trimethylcyclohexane-1,4-dione
CID 30181
trans-(3S,5S)-3-methoxy-3,5-dimethylcyclohexan-1-one
CID 130906180
3,5,5,6,6-pentamethylpiperidin-2-one
CID 138971121
3,3-dimethyl-5-prop-2-enylcyclohexan-1-one
CID 130030499

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-5-methyl-6-azabicyclo[3.2.1]octane-3,7-dione?
The IUPAC name of (1R,5R)-5-methyl-6-azabicyclo[3.2.1]octane-3,7-dione (CID 129413450) is (1R,5R)-5-methyl-6-azabicyclo[3.2.1]octane-3,7-dione.
What is the SMILES notation for (1R,5R)-5-methyl-6-azabicyclo[3.2.1]octane-3,7-dione?
The canonical SMILES for (1R,5R)-5-methyl-6-azabicyclo[3.2.1]octane-3,7-dione is C[C@]12CC(=O)C[C@@H](C1)C(=O)N2.
What is the InChIKey of (1R,5R)-5-methyl-6-azabicyclo[3.2.1]octane-3,7-dione?
The InChIKey is WPINBECUUSCHDY-YLWLKBPMSA-N. The full InChI is InChI=1S/C8H11NO2/c1-8-3-5(7(11)9-8)2-6(10)4-8/h5H,2-4H2,1H3,(H,9,11)/t5-,8+/m0/s1.
What are the key properties of (1R,5R)-5-methyl-6-azabicyclo[3.2.1]octane-3,7-dione?
(1R,5R)-5-methyl-6-azabicyclo[3.2.1]octane-3,7-dione has a molecular weight of 153.18 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-5-methyl-6-azabicyclo[3.2.1]octane-3,7-dione is sourced from PubChem (CID 129413450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).