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

C11H12N2O — CID 19269

IUPAC2-(3,4-dihydroisoquinolin-1-yl)acetamide
SMILESNC(=O)CC1=NCCc2ccccc21
InChIInChI=1S/C11H12N2O/c12-11(14)7-10-9-4-2-1-3-8(9)5-6-13-10/h1-4H,5-7H2,(H2,12,14)
InChIKeyHFAWQWOCJFNGDB-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.91
Rot. Bonds2

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

2-(3,4-dihydroisoquinolin-1-yl)acetamide (PubChem CID 19269) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(3,4-dihydroisoquinolin-1-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dihydroisoquinolin-1-yl)acetamide
PubChem CID19269
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-(3,4-dihydroisoquinolin-1-yl)acetamide
SMILESNC(=O)CC1=NCCc2ccccc21
InChIInChI=1S/C11H12N2O/c12-11(14)7-10-9-4-2-1-3-8(9)5-6-13-10/h1-4H,5-7H2,(H2,12,14)
InChIKeyHFAWQWOCJFNGDB-UHFFFAOYSA-N
XLogP0.91
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.91
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?
The IUPAC name of 2-(3,4-dihydroisoquinolin-1-yl)acetamide (CID 19269) is 2-(3,4-dihydroisoquinolin-1-yl)acetamide.
What is the SMILES notation for 2-(3,4-dihydroisoquinolin-1-yl)acetamide?
The canonical SMILES for 2-(3,4-dihydroisoquinolin-1-yl)acetamide is NC(=O)CC1=NCCc2ccccc21.
What is the InChIKey of 2-(3,4-dihydroisoquinolin-1-yl)acetamide?
The InChIKey is HFAWQWOCJFNGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-11(14)7-10-9-4-2-1-3-8(9)5-6-13-10/h1-4H,5-7H2,(H2,12,14).
What are the key properties of 2-(3,4-dihydroisoquinolin-1-yl)acetamide?
2-(3,4-dihydroisoquinolin-1-yl)acetamide has a molecular weight of 188.23 g/mol, XLogP of 0.91, 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 is sourced from PubChem (CID 19269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).