1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl acetate

C11H19NO2 — CID 586732

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl acetate
SMILESCC(=O)OC1CCNC2CCCCC21
InChIInChI=1S/C11H19NO2/c1-8(13)14-11-6-7-12-10-5-3-2-4-9(10)11/h9-12H,2-7H2,1H3
InChIKeySHFBAWQUGPGEAL-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.47
Rot. Bonds1

About 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl acetate

1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl acetate (PubChem CID 586732) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl acetate.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl acetate
PubChem CID586732
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl acetate
SMILESCC(=O)OC1CCNC2CCCCC21
InChIInChI=1S/C11H19NO2/c1-8(13)14-11-6-7-12-10-5-3-2-4-9(10)11/h9-12H,2-7H2,1H3
InChIKeySHFBAWQUGPGEAL-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl acetate?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl acetate (CID 586732) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl acetate.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl acetate?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl acetate is CC(=O)OC1CCNC2CCCCC21.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl acetate?
The InChIKey is SHFBAWQUGPGEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(13)14-11-6-7-12-10-5-3-2-4-9(10)11/h9-12H,2-7H2,1H3.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl acetate?
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-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 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-yl acetate is sourced from PubChem (CID 586732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).