7-hydroxy-8aH-isoquinolin-1-one

C9H7NO2 — CID 71304044

IUPAC7-hydroxy-8aH-isoquinolin-1-one
SMILESO=C1N=CC=C2C=CC(O)=CC12
InChIInChI=1S/C9H7NO2/c11-7-2-1-6-3-4-10-9(12)8(6)5-7/h1-5,8,11H
InChIKeyFFSYCRZEGVIMRZ-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.15
Rot. Bonds

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

7-hydroxy-8aH-isoquinolin-1-one (PubChem CID 71304044) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 7-hydroxy-8aH-isoquinolin-1-one.

Molecular Properties

Compound Name7-hydroxy-8aH-isoquinolin-1-one
PubChem CID71304044
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name7-hydroxy-8aH-isoquinolin-1-one
SMILESO=C1N=CC=C2C=CC(O)=CC12
InChIInChI=1S/C9H7NO2/c11-7-2-1-6-3-4-10-9(12)8(6)5-7/h1-5,8,11H
InChIKeyFFSYCRZEGVIMRZ-UHFFFAOYSA-N
XLogP1.15
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8aH-isoquinolin-1-one
CID 45051642
6-methoxy-8aH-isoquinolin-1-one
CID 71303980
7-methoxy-8aH-isoquinolin-1-one
CID 71304048
6-hydroxy-4aH-quinazolin-4-one
CID 71650449
6-(hydroxymethyl)-8aH-isoquinolin-1-one
CID 74675860
1-Oxo-1,8a-dihydroisoquinoline-6-carboxylic acid
CID 76746202
1-oxo-8aH-isoquinoline-4-carboxylic acid
CID 77620866
(8aR)-1-oxo-8aH-isoquinoline-6-carboxylic acid
CID 129407548
(8aS)-1-oxo-8aH-isoquinoline-6-carboxylic acid
CID 129407549
4-hydroxy-8aH-isoquinolin-1-one
CID 138059369

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8aH-isoquinolin-1-one?
The IUPAC name of 7-hydroxy-8aH-isoquinolin-1-one (CID 71304044) is 7-hydroxy-8aH-isoquinolin-1-one.
What is the SMILES notation for 7-hydroxy-8aH-isoquinolin-1-one?
The canonical SMILES for 7-hydroxy-8aH-isoquinolin-1-one is O=C1N=CC=C2C=CC(O)=CC12.
What is the InChIKey of 7-hydroxy-8aH-isoquinolin-1-one?
The InChIKey is FFSYCRZEGVIMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-7-2-1-6-3-4-10-9(12)8(6)5-7/h1-5,8,11H.
What are the key properties of 7-hydroxy-8aH-isoquinolin-1-one?
7-hydroxy-8aH-isoquinolin-1-one has a molecular weight of 161.16 g/mol, XLogP of 1.15, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8aH-isoquinolin-1-one is sourced from PubChem (CID 71304044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).