7-methoxy-8aH-isoquinolin-1-one

C10H9NO2 — CID 71304048

IUPAC7-methoxy-8aH-isoquinolin-1-one
SMILESCOC1=CC2C(=O)N=CC=C2C=C1
InChIInChI=1S/C10H9NO2/c1-13-8-3-2-7-4-5-11-10(12)9(7)6-8/h2-6,9H,1H3
InChIKeyLMTVROQBGMQZDL-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.24
Rot. Bonds1

About 7-methoxy-8aH-isoquinolin-1-one

7-methoxy-8aH-isoquinolin-1-one (PubChem CID 71304048) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 7-methoxy-8aH-isoquinolin-1-one.

Molecular Properties

Compound Name7-methoxy-8aH-isoquinolin-1-one
PubChem CID71304048
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name7-methoxy-8aH-isoquinolin-1-one
SMILESCOC1=CC2C(=O)N=CC=C2C=C1
InChIInChI=1S/C10H9NO2/c1-13-8-3-2-7-4-5-11-10(12)9(7)6-8/h2-6,9H,1H3
InChIKeyLMTVROQBGMQZDL-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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Related Compounds

7-fluoro-6-methoxy-8aH-isoquinolin-1-one
CID 91363585
7-fluoro-4-methoxy-8aH-isoquinolin-1-one
CID 123850935
5-(trifluoromethoxy)-8aH-isoquinolin-1-one
CID 73852268
8-Methoxy-1,9a-dihydro-3-benzazepin-2-one
CID 20207150
ethane;4-methoxy-8aH-isoquinolin-1-one
CID 91090244
7-chloro-4-methoxy-8aH-isoquinolin-1-one
CID 123277449
4-chloro-7-methoxy-8aH-isoquinolin-1-one
CID 123353542
6-methoxy-8aH-isoquinolin-1-one
CID 71303980
7-hydroxy-8aH-isoquinolin-1-one
CID 71304044
methyl 1-oxo-8aH-isoquinoline-7-carboxylate
CID 72213628
8-methoxy-8aH-isoquinolin-1-one
CID 73187982
6-methoxy-8aH-isoquinolin-3-one
CID 73795661

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-8aH-isoquinolin-1-one?
The IUPAC name of 7-methoxy-8aH-isoquinolin-1-one (CID 71304048) is 7-methoxy-8aH-isoquinolin-1-one.
What is the SMILES notation for 7-methoxy-8aH-isoquinolin-1-one?
The canonical SMILES for 7-methoxy-8aH-isoquinolin-1-one is COC1=CC2C(=O)N=CC=C2C=C1.
What is the InChIKey of 7-methoxy-8aH-isoquinolin-1-one?
The InChIKey is LMTVROQBGMQZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-13-8-3-2-7-4-5-11-10(12)9(7)6-8/h2-6,9H,1H3.
What are the key properties of 7-methoxy-8aH-isoquinolin-1-one?
7-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 7-methoxy-8aH-isoquinolin-1-one is sourced from PubChem (CID 71304048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).