2-methylisoquinolin-8-one

C10H9NO — CID 23422121

IUPAC2-methylisoquinolin-8-one
SMILESCn1ccc2cccc(=O)c-2c1
InChIInChI=1S/C10H9NO/c1-11-6-5-8-3-2-4-10(12)9(8)7-11/h2-7H,1H3
InChIKeyLAHNVGJTYOXVCZ-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.49
Rot. Bonds

About 2-methylisoquinolin-8-one

2-methylisoquinolin-8-one (PubChem CID 23422121) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-methylisoquinolin-8-one.

Molecular Properties

Compound Name2-methylisoquinolin-8-one
PubChem CID23422121
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name2-methylisoquinolin-8-one
SMILESCn1ccc2cccc(=O)c-2c1
InChIInChI=1S/C10H9NO/c1-11-6-5-8-3-2-4-10(12)9(8)7-11/h2-7H,1H3
InChIKeyLAHNVGJTYOXVCZ-UHFFFAOYSA-N
XLogP1.49
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylisoquinolin-8-one?
The IUPAC name of 2-methylisoquinolin-8-one (CID 23422121) is 2-methylisoquinolin-8-one.
What is the SMILES notation for 2-methylisoquinolin-8-one?
The canonical SMILES for 2-methylisoquinolin-8-one is Cn1ccc2cccc(=O)c-2c1.
What is the InChIKey of 2-methylisoquinolin-8-one?
The InChIKey is LAHNVGJTYOXVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c1-11-6-5-8-3-2-4-10(12)9(8)7-11/h2-7H,1H3.
What are the key properties of 2-methylisoquinolin-8-one?
2-methylisoquinolin-8-one has a molecular weight of 159.19 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylisoquinolin-8-one is sourced from PubChem (CID 23422121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).