(1S,2R,5S,6R,7S)-5-acetyl-4-methyl-4-azatricyclo[5.2.1.02,6]decan-8-one

C12H17NO2 — CID 174169302

IUPAC(1S,2R,5S,6R,7S)-5-acetyl-4-methyl-4-azatricyclo[5.2.1.02,6]decan-8-one
SMILESCC(=O)[C@@H]1[C@@H]2[C@H](CN1C)[C@@H]1CC(=O)[C@H]2C1
InChIInChI=1S/C12H17NO2/c1-6(14)12-11-8-3-7(4-10(8)15)9(11)5-13(12)2/h7-9,11-12H,3-5H2,1-2H3/t7-,8+,9+,11-,12+/m0/s1
InChIKeyRHCWBGKUIRUEGM-JGEDTMQMSA-N
MW207.27 g/mol
LogP0.73
Rot. Bonds1

About (1S,2R,5S,6R,7S)-5-acetyl-4-methyl-4-azatricyclo[5.2.1.02,6]decan-8-one

(1S,2R,5S,6R,7S)-5-acetyl-4-methyl-4-azatricyclo[5.2.1.02,6]decan-8-one (PubChem CID 174169302) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (1S,2R,5S,6R,7S)-5-acetyl-4-methyl-4-azatricyclo[5.2.1.02,6]decan-8-one.

Molecular Properties

Compound Name(1S,2R,5S,6R,7S)-5-acetyl-4-methyl-4-azatricyclo[5.2.1.02,6]decan-8-one
PubChem CID174169302
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(1S,2R,5S,6R,7S)-5-acetyl-4-methyl-4-azatricyclo[5.2.1.02,6]decan-8-one
SMILESCC(=O)[C@@H]1[C@@H]2[C@H](CN1C)[C@@H]1CC(=O)[C@H]2C1
InChIInChI=1S/C12H17NO2/c1-6(14)12-11-8-3-7(4-10(8)15)9(11)5-13(12)2/h7-9,11-12H,3-5H2,1-2H3/t7-,8+,9+,11-,12+/m0/s1
InChIKeyRHCWBGKUIRUEGM-JGEDTMQMSA-N
XLogP0.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S,2R,5S,6R,7S)-5-acetyl-4-methyl-4-azatricyclo[5.2.1.02,6]decan-8-one with MolForge

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Related Compounds

3-acetyl-2-methyl-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrol-6-one
CID 142089656
4,5-dihydroxytricyclo[5.2.1.02,6]decan-8-one
CID 130126797
1-[(1S,3aR,4S,7R,7aS)-2-methyl-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindol-1-yl]ethanone
CID 174169304
(1S,4aS)-1-acetyl-2-methyl-7-phenyl-1,3,4,4a,5,7,8,8a-octahydroisoquinolin-6-one
CID 70364751
3-propan-2-yl-3-azabicyclo[3.2.0]heptan-6-one
CID 123415908
(2R,6R)-tricyclo[5.2.1.02,6]decan-8-one
CID 91749107
methane;tricyclo[5.2.1.02,6]decan-8-one
CID 162040407
methyl (3S,3aR,6aS)-2-methyl-5-oxo-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-3-carboxylate
CID 146435938
(1S,2S,5R)-3-methyl-3-azabicyclo[3.1.0]hexane-2-carbonyl iodide
CID 170258058
3-acetyl-2-methyl-1,3,4,4a,5,7,8,8a-octahydroisoquinolin-6-one
CID 20820154
1-[(2S,3R)-1,3-dimethylaziridin-2-yl]ethanone
CID 45085035
tert-butyl (1S,6R)-8-oxo-3-azabicyclo[4.2.0]octane-3-carboxylate
CID 97291563

Frequently Asked Questions

What is the IUPAC name of (1S,2R,5S,6R,7S)-5-acetyl-4-methyl-4-azatricyclo[5.2.1.02,6]decan-8-one?
The IUPAC name of (1S,2R,5S,6R,7S)-5-acetyl-4-methyl-4-azatricyclo[5.2.1.02,6]decan-8-one (CID 174169302) is (1S,2R,5S,6R,7S)-5-acetyl-4-methyl-4-azatricyclo[5.2.1.02,6]decan-8-one.
What is the SMILES notation for (1S,2R,5S,6R,7S)-5-acetyl-4-methyl-4-azatricyclo[5.2.1.02,6]decan-8-one?
The canonical SMILES for (1S,2R,5S,6R,7S)-5-acetyl-4-methyl-4-azatricyclo[5.2.1.02,6]decan-8-one is CC(=O)[C@@H]1[C@@H]2[C@H](CN1C)[C@@H]1CC(=O)[C@H]2C1.
What is the InChIKey of (1S,2R,5S,6R,7S)-5-acetyl-4-methyl-4-azatricyclo[5.2.1.02,6]decan-8-one?
The InChIKey is RHCWBGKUIRUEGM-JGEDTMQMSA-N. The full InChI is InChI=1S/C12H17NO2/c1-6(14)12-11-8-3-7(4-10(8)15)9(11)5-13(12)2/h7-9,11-12H,3-5H2,1-2H3/t7-,8+,9+,11-,12+/m0/s1.
What are the key properties of (1S,2R,5S,6R,7S)-5-acetyl-4-methyl-4-azatricyclo[5.2.1.02,6]decan-8-one?
(1S,2R,5S,6R,7S)-5-acetyl-4-methyl-4-azatricyclo[5.2.1.02,6]decan-8-one has a molecular weight of 207.27 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,5S,6R,7S)-5-acetyl-4-methyl-4-azatricyclo[5.2.1.02,6]decan-8-one is sourced from PubChem (CID 174169302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).