[(4aS,7S,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl] acetate

C11H19NO2 — CID 11903962

IUPAC[(4aS,7S,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl] acetate
SMILESCC(=O)O[C@H]1CC[C@@H]2CCCN[C@@H]2C1
InChIInChI=1S/C11H19NO2/c1-8(13)14-10-5-4-9-3-2-6-12-11(9)7-10/h9-12H,2-7H2,1H3/t9-,10-,11+/m0/s1
InChIKeyWVVILWUFQOWLQE-GARJFASQSA-N
MW197.28 g/mol
LogP1.47
Rot. Bonds1

About [(4aS,7S,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl] acetate

[(4aS,7S,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl] acetate (PubChem CID 11903962) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is [(4aS,7S,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl] acetate.

Molecular Properties

Compound Name[(4aS,7S,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl] acetate
PubChem CID11903962
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name[(4aS,7S,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl] acetate
SMILESCC(=O)O[C@H]1CC[C@@H]2CCCN[C@@H]2C1
InChIInChI=1S/C11H19NO2/c1-8(13)14-10-5-4-9-3-2-6-12-11(9)7-10/h9-12H,2-7H2,1H3/t9-,10-,11+/m0/s1
InChIKeyWVVILWUFQOWLQE-GARJFASQSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(4aS,7S,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl] acetate with MolForge

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Related Compounds

1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl acetate;hydrochloride
CID 2831824
[(2R,4aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate
CID 123494192
2,3,3a,4,5,6,7,7a-octahydro-1H-inden-2-yl acetate
CID 142155546
(4aR,7S,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-ol
CID 30106225
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-6-yl benzoate
CID 70530172
[(2R,6R)-6-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] acetate
CID 6427576
2-cyclopentylpyrrolidine
CID 4031549
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane
CID 142196659
[(1S,3R,4S)-3,4-diacetyloxycyclohexyl] acetate
CID 12026264
[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl] acetate
CID 70197099
methyl 1,2,3,4,4a,5,6,8,9,9a-decahydropyrido[2,3-d]azepine-7-carboxylate
CID 83848939
(6-acetyloxycyclodecyl) acetate
CID 539578

Frequently Asked Questions

What is the IUPAC name of [(4aS,7S,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl] acetate?
The IUPAC name of [(4aS,7S,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl] acetate (CID 11903962) is [(4aS,7S,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl] acetate.
What is the SMILES notation for [(4aS,7S,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl] acetate?
The canonical SMILES for [(4aS,7S,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl] acetate is CC(=O)O[C@H]1CC[C@@H]2CCCN[C@@H]2C1.
What is the InChIKey of [(4aS,7S,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl] acetate?
The InChIKey is WVVILWUFQOWLQE-GARJFASQSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(13)14-10-5-4-9-3-2-6-12-11(9)7-10/h9-12H,2-7H2,1H3/t9-,10-,11+/m0/s1.
What are the key properties of [(4aS,7S,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl] acetate?
[(4aS,7S,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl] acetate has a molecular weight of 197.28 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,7S,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl] acetate is sourced from PubChem (CID 11903962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).