2-methoxy-3,4-dihydroisoquinolin-1-one

C10H11NO2 — CID 118166559

IUPAC2-methoxy-3,4-dihydroisoquinolin-1-one
SMILESCON1CCc2ccccc2C1=O
InChIInChI=1S/C10H11NO2/c1-13-11-7-6-8-4-2-3-5-9(8)10(11)12/h2-5H,6-7H2,1H3
InChIKeyBFYGWTXKXGLZBY-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.25
Rot. Bonds1

About 2-methoxy-3,4-dihydroisoquinolin-1-one

2-methoxy-3,4-dihydroisoquinolin-1-one (PubChem CID 118166559) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-methoxy-3,4-dihydroisoquinolin-1-one.

Molecular Properties

Compound Name2-methoxy-3,4-dihydroisoquinolin-1-one
PubChem CID118166559
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-methoxy-3,4-dihydroisoquinolin-1-one
SMILESCON1CCc2ccccc2C1=O
InChIInChI=1S/C10H11NO2/c1-13-11-7-6-8-4-2-3-5-9(8)10(11)12/h2-5H,6-7H2,1H3
InChIKeyBFYGWTXKXGLZBY-UHFFFAOYSA-N
XLogP1.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,4-dihydroisoquinolin-1-one?
The IUPAC name of 2-methoxy-3,4-dihydroisoquinolin-1-one (CID 118166559) is 2-methoxy-3,4-dihydroisoquinolin-1-one.
What is the SMILES notation for 2-methoxy-3,4-dihydroisoquinolin-1-one?
The canonical SMILES for 2-methoxy-3,4-dihydroisoquinolin-1-one is CON1CCc2ccccc2C1=O.
What is the InChIKey of 2-methoxy-3,4-dihydroisoquinolin-1-one?
The InChIKey is BFYGWTXKXGLZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-13-11-7-6-8-4-2-3-5-9(8)10(11)12/h2-5H,6-7H2,1H3.
What are the key properties of 2-methoxy-3,4-dihydroisoquinolin-1-one?
2-methoxy-3,4-dihydroisoquinolin-1-one has a molecular weight of 177.20 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 118166559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).