2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide

C12H16N2O — CID 110456723

IUPAC2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESCc1cccc2c1CCN(CC(N)=O)C2
InChIInChI=1S/C12H16N2O/c1-9-3-2-4-10-7-14(8-12(13)15)6-5-11(9)10/h2-4H,5-8H2,1H3,(H2,13,15)
InChIKeyGTYPBWCFSSKSOZ-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.84
Rot. Bonds2

About 2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide

2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide (PubChem CID 110456723) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
PubChem CID110456723
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
SMILESCc1cccc2c1CCN(CC(N)=O)C2
InChIInChI=1S/C12H16N2O/c1-9-3-2-4-10-7-14(8-12(13)15)6-5-11(9)10/h2-4H,5-8H2,1H3,(H2,13,15)
InChIKeyGTYPBWCFSSKSOZ-UHFFFAOYSA-N
XLogP0.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-ethyl-5-methyl-3,4-dihydro-1H-isoquinoline
CID 162382873
ethane;2-(7-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 171523229
2-(5,7-dihydrobenzo[d][2]benzazepin-6-yl)acetamide
CID 52862501
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)acetamide
CID 6458103
ethane;5-methyl-2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinoline
CID 143140384
2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3088677
2-isocyano-5-methyl-3,4-dihydro-1H-isoquinoline;5-methyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 159115655
2-(5,7-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110457058
2-(5-fluoro-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
CID 110456763
2-(5-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-N-methylacetamide
CID 110457090
2-(5-amino-3,4-dihydro-1H-isoquinolin-2-yl)-N-propylacetamide
CID 54949308
2-(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide
CID 110456802

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The IUPAC name of 2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide (CID 110456723) is 2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The canonical SMILES for 2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide is Cc1cccc2c1CCN(CC(N)=O)C2.
What is the InChIKey of 2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
The InChIKey is GTYPBWCFSSKSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-3-2-4-10-7-14(8-12(13)15)6-5-11(9)10/h2-4H,5-8H2,1H3,(H2,13,15).
What are the key properties of 2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide?
2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide has a molecular weight of 204.27 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3,4-dihydro-1H-isoquinolin-2-yl)acetamide is sourced from PubChem (CID 110456723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).