2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-yl)acetamide;hydrochloride

C11H21ClN2O — CID 138991382

IUPAC2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-yl)acetamide;hydrochloride
SMILESCl.NC(=O)CC1CCC2CNCCC2C1
InChIInChI=1S/C11H20N2O.ClH/c12-11(14)6-8-1-2-10-7-13-4-3-9(10)5-8;/h8-10,13H,1-7H2,(H2,12,14);1H
InChIKeyLWRYQLGUSXPLDK-UHFFFAOYSA-N
MW232.75 g/mol
LogP1.31
Rot. Bonds2

About 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-yl)acetamide;hydrochloride

2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-yl)acetamide;hydrochloride (PubChem CID 138991382) has the molecular formula C11H21ClN2O and a molecular weight of 232.75 g/mol. Its IUPAC name is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-yl)acetamide;hydrochloride
PubChem CID138991382
Molecular FormulaC11H21ClN2O
Molecular Weight232.75 g/mol
Exact Mass232.13
IUPAC Name2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-yl)acetamide;hydrochloride
SMILESCl.NC(=O)CC1CCC2CNCCC2C1
InChIInChI=1S/C11H20N2O.ClH/c12-11(14)6-8-1-2-10-7-13-4-3-9(10)5-8;/h8-10,13H,1-7H2,(H2,12,14);1H
InChIKeyLWRYQLGUSXPLDK-UHFFFAOYSA-N
XLogP1.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.75
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-yl)acetamide;hydrochloride?
The IUPAC name of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-yl)acetamide;hydrochloride (CID 138991382) is 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-yl)acetamide;hydrochloride is Cl.NC(=O)CC1CCC2CNCCC2C1.
What is the InChIKey of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-yl)acetamide;hydrochloride?
The InChIKey is LWRYQLGUSXPLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O.ClH/c12-11(14)6-8-1-2-10-7-13-4-3-9(10)5-8;/h8-10,13H,1-7H2,(H2,12,14);1H.
What are the key properties of 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-yl)acetamide;hydrochloride?
2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-yl)acetamide;hydrochloride has a molecular weight of 232.75 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinolin-6-yl)acetamide;hydrochloride is sourced from PubChem (CID 138991382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).