6-methoxy-7-methyl-5,8-dihydro-2H-isoquinolin-1-one

C11H13NO2 — CID 134987200

IUPAC6-methoxy-7-methyl-5,8-dihydro-2H-isoquinolin-1-one
SMILESCOC1=C(C)Cc2c(cc[nH]c2=O)C1
InChIInChI=1S/C11H13NO2/c1-7-5-9-8(6-10(7)14-2)3-4-12-11(9)13/h3-4H,5-6H2,1-2H3,(H,12,13)
InChIKeyXAJRXUBYVIAWIH-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.39
Rot. Bonds1

About 6-methoxy-7-methyl-5,8-dihydro-2H-isoquinolin-1-one

6-methoxy-7-methyl-5,8-dihydro-2H-isoquinolin-1-one (PubChem CID 134987200) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-methoxy-7-methyl-5,8-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-methoxy-7-methyl-5,8-dihydro-2H-isoquinolin-1-one
PubChem CID134987200
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name6-methoxy-7-methyl-5,8-dihydro-2H-isoquinolin-1-one
SMILESCOC1=C(C)Cc2c(cc[nH]c2=O)C1
InChIInChI=1S/C11H13NO2/c1-7-5-9-8(6-10(7)14-2)3-4-12-11(9)13/h3-4H,5-6H2,1-2H3,(H,12,13)
InChIKeyXAJRXUBYVIAWIH-UHFFFAOYSA-N
XLogP1.39
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-methyl-5,8-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 6-methoxy-7-methyl-5,8-dihydro-2H-isoquinolin-1-one (CID 134987200) is 6-methoxy-7-methyl-5,8-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 6-methoxy-7-methyl-5,8-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 6-methoxy-7-methyl-5,8-dihydro-2H-isoquinolin-1-one is COC1=C(C)Cc2c(cc[nH]c2=O)C1.
What is the InChIKey of 6-methoxy-7-methyl-5,8-dihydro-2H-isoquinolin-1-one?
The InChIKey is XAJRXUBYVIAWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7-5-9-8(6-10(7)14-2)3-4-12-11(9)13/h3-4H,5-6H2,1-2H3,(H,12,13).
What are the key properties of 6-methoxy-7-methyl-5,8-dihydro-2H-isoquinolin-1-one?
6-methoxy-7-methyl-5,8-dihydro-2H-isoquinolin-1-one has a molecular weight of 191.23 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-methyl-5,8-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 134987200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).