2-(3,4-dihydroisoquinolin-1-yl)acetamide;hydrochloride

C11H13ClN2O — CID 18987007

IUPAC2-(3,4-dihydroisoquinolin-1-yl)acetamide;hydrochloride
SMILESCl.NC(=O)CC1=NCCc2ccccc21
InChIInChI=1S/C11H12N2O.ClH/c12-11(14)7-10-9-4-2-1-3-8(9)5-6-13-10;/h1-4H,5-7H2,(H2,12,14);1H
InChIKeyPLIDEWHZCDNGJI-UHFFFAOYSA-N
MW224.69 g/mol
LogP1.33
Rot. Bonds2

About 2-(3,4-dihydroisoquinolin-1-yl)acetamide;hydrochloride

2-(3,4-dihydroisoquinolin-1-yl)acetamide;hydrochloride (PubChem CID 18987007) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-(3,4-dihydroisoquinolin-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,4-dihydroisoquinolin-1-yl)acetamide;hydrochloride
PubChem CID18987007
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2-(3,4-dihydroisoquinolin-1-yl)acetamide;hydrochloride
SMILESCl.NC(=O)CC1=NCCc2ccccc21
InChIInChI=1S/C11H12N2O.ClH/c12-11(14)7-10-9-4-2-1-3-8(9)5-6-13-10;/h1-4H,5-7H2,(H2,12,14);1H
InChIKeyPLIDEWHZCDNGJI-UHFFFAOYSA-N
XLogP1.33
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydroisoquinolin-1-yl)acetamide;hydrochloride?
The IUPAC name of 2-(3,4-dihydroisoquinolin-1-yl)acetamide;hydrochloride (CID 18987007) is 2-(3,4-dihydroisoquinolin-1-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3,4-dihydroisoquinolin-1-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(3,4-dihydroisoquinolin-1-yl)acetamide;hydrochloride is Cl.NC(=O)CC1=NCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydroisoquinolin-1-yl)acetamide;hydrochloride?
The InChIKey is PLIDEWHZCDNGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O.ClH/c12-11(14)7-10-9-4-2-1-3-8(9)5-6-13-10;/h1-4H,5-7H2,(H2,12,14);1H.
What are the key properties of 2-(3,4-dihydroisoquinolin-1-yl)acetamide;hydrochloride?
2-(3,4-dihydroisoquinolin-1-yl)acetamide;hydrochloride has a molecular weight of 224.69 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydroisoquinolin-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 18987007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).