7-hydroxy-2H-isoquinolin-1-one

C9H7NO2 — CID 13012636

IUPAC7-hydroxy-2H-isoquinolin-1-one
SMILESO=c1[nH]ccc2ccc(O)cc12
InChIInChI=1S/C9H7NO2/c11-7-2-1-6-3-4-10-9(12)8(6)5-7/h1-5,11H,(H,10,12)
InChIKeyJCSSLGUHFFFJRW-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.23
Rot. Bonds

About 7-hydroxy-2H-isoquinolin-1-one

7-hydroxy-2H-isoquinolin-1-one (PubChem CID 13012636) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 7-hydroxy-2H-isoquinolin-1-one.

Molecular Properties

Compound Name7-hydroxy-2H-isoquinolin-1-one
PubChem CID13012636
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name7-hydroxy-2H-isoquinolin-1-one
SMILESO=c1[nH]ccc2ccc(O)cc12
InChIInChI=1S/C9H7NO2/c11-7-2-1-6-3-4-10-9(12)8(6)5-7/h1-5,11H,(H,10,12)
InChIKeyJCSSLGUHFFFJRW-UHFFFAOYSA-N
XLogP1.23
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2H-isoquinolin-1-one?
The IUPAC name of 7-hydroxy-2H-isoquinolin-1-one (CID 13012636) is 7-hydroxy-2H-isoquinolin-1-one.
What is the SMILES notation for 7-hydroxy-2H-isoquinolin-1-one?
The canonical SMILES for 7-hydroxy-2H-isoquinolin-1-one is O=c1[nH]ccc2ccc(O)cc12.
What is the InChIKey of 7-hydroxy-2H-isoquinolin-1-one?
The InChIKey is JCSSLGUHFFFJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c11-7-2-1-6-3-4-10-9(12)8(6)5-7/h1-5,11H,(H,10,12).
What are the key properties of 7-hydroxy-2H-isoquinolin-1-one?
7-hydroxy-2H-isoquinolin-1-one has a molecular weight of 161.16 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2H-isoquinolin-1-one is sourced from PubChem (CID 13012636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).