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

C11H20ClNO2 — CID 2831824

IUPAC1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl acetate;hydrochloride
SMILESCC(=O)OC1CCC2CCCNC2C1.Cl
InChIInChI=1S/C11H19NO2.ClH/c1-8(13)14-10-5-4-9-3-2-6-12-11(9)7-10;/h9-12H,2-7H2,1H3;1H
InChIKeySRCQKERUQNQIIK-UHFFFAOYSA-N
MW233.74 g/mol
LogP1.89
Rot. Bonds1

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

1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl acetate;hydrochloride (PubChem CID 2831824) has the molecular formula C11H20ClNO2 and a molecular weight of 233.74 g/mol. Its IUPAC name is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl acetate;hydrochloride.

Molecular Properties

Compound Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl acetate;hydrochloride
PubChem CID2831824
Molecular FormulaC11H20ClNO2
Molecular Weight233.74 g/mol
Exact Mass233.12
IUPAC Name1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl acetate;hydrochloride
SMILESCC(=O)OC1CCC2CCCNC2C1.Cl
InChIInChI=1S/C11H19NO2.ClH/c1-8(13)14-10-5-4-9-3-2-6-12-11(9)7-10;/h9-12H,2-7H2,1H3;1H
InChIKeySRCQKERUQNQIIK-UHFFFAOYSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 51.89
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-7-yl acetate;hydrochloride?
The IUPAC name of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl acetate;hydrochloride (CID 2831824) is 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl acetate;hydrochloride.
What is the SMILES notation for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl acetate;hydrochloride?
The canonical SMILES for 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl acetate;hydrochloride is CC(=O)OC1CCC2CCCNC2C1.Cl.
What is the InChIKey of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl acetate;hydrochloride?
The InChIKey is SRCQKERUQNQIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2.ClH/c1-8(13)14-10-5-4-9-3-2-6-12-11(9)7-10;/h9-12H,2-7H2,1H3;1H.
What are the key properties of 1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl acetate;hydrochloride?
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-7-yl acetate;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of 1.89, 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-7-yl acetate;hydrochloride is sourced from PubChem (CID 2831824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).