4-methoxy-8aH-isoquinolin-1-one

C10H9NO2 — CID 91090245

IUPAC4-methoxy-8aH-isoquinolin-1-one
SMILESCOC1=C2C=CC=CC2C(=O)N=C1
InChIInChI=1S/C10H9NO2/c1-13-9-6-11-10(12)8-5-3-2-4-7(8)9/h2-6,8H,1H3
InChIKeyTUJYPWGIDXYLOP-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.24
Rot. Bonds1

About 4-methoxy-8aH-isoquinolin-1-one

4-methoxy-8aH-isoquinolin-1-one (PubChem CID 91090245) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4-methoxy-8aH-isoquinolin-1-one.

Molecular Properties

Compound Name4-methoxy-8aH-isoquinolin-1-one
PubChem CID91090245
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name4-methoxy-8aH-isoquinolin-1-one
SMILESCOC1=C2C=CC=CC2C(=O)N=C1
InChIInChI=1S/C10H9NO2/c1-13-9-6-11-10(12)8-5-3-2-4-7(8)9/h2-6,8H,1H3
InChIKeyTUJYPWGIDXYLOP-UHFFFAOYSA-N
XLogP1.24
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-8aH-isoquinolin-1-one?
The IUPAC name of 4-methoxy-8aH-isoquinolin-1-one (CID 91090245) is 4-methoxy-8aH-isoquinolin-1-one.
What is the SMILES notation for 4-methoxy-8aH-isoquinolin-1-one?
The canonical SMILES for 4-methoxy-8aH-isoquinolin-1-one is COC1=C2C=CC=CC2C(=O)N=C1.
What is the InChIKey of 4-methoxy-8aH-isoquinolin-1-one?
The InChIKey is TUJYPWGIDXYLOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-13-9-6-11-10(12)8-5-3-2-4-7(8)9/h2-6,8H,1H3.
What are the key properties of 4-methoxy-8aH-isoquinolin-1-one?
4-methoxy-8aH-isoquinolin-1-one has a molecular weight of 175.19 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-8aH-isoquinolin-1-one is sourced from PubChem (CID 91090245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).