2-methyl-1,3-dihydroisoquinolin-4-one

C10H11NO — CID 10630812

IUPAC2-methyl-1,3-dihydroisoquinolin-4-one
SMILESCN1CC(=O)c2ccccc2C1
InChIInChI=1S/C10H11NO/c1-11-6-8-4-2-3-5-9(8)10(12)7-11/h2-5H,6-7H2,1H3
InChIKeySZNJHPIVJBDAIH-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.31
Rot. Bonds

About 2-methyl-1,3-dihydroisoquinolin-4-one

2-methyl-1,3-dihydroisoquinolin-4-one (PubChem CID 10630812) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-methyl-1,3-dihydroisoquinolin-4-one.

Molecular Properties

Compound Name2-methyl-1,3-dihydroisoquinolin-4-one
PubChem CID10630812
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-methyl-1,3-dihydroisoquinolin-4-one
SMILESCN1CC(=O)c2ccccc2C1
InChIInChI=1S/C10H11NO/c1-11-6-8-4-2-3-5-9(8)10(12)7-11/h2-5H,6-7H2,1H3
InChIKeySZNJHPIVJBDAIH-UHFFFAOYSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,3-dihydroisoquinolin-4-one?
The IUPAC name of 2-methyl-1,3-dihydroisoquinolin-4-one (CID 10630812) is 2-methyl-1,3-dihydroisoquinolin-4-one.
What is the SMILES notation for 2-methyl-1,3-dihydroisoquinolin-4-one?
The canonical SMILES for 2-methyl-1,3-dihydroisoquinolin-4-one is CN1CC(=O)c2ccccc2C1.
What is the InChIKey of 2-methyl-1,3-dihydroisoquinolin-4-one?
The InChIKey is SZNJHPIVJBDAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-11-6-8-4-2-3-5-9(8)10(12)7-11/h2-5H,6-7H2,1H3.
What are the key properties of 2-methyl-1,3-dihydroisoquinolin-4-one?
2-methyl-1,3-dihydroisoquinolin-4-one has a molecular weight of 161.20 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,3-dihydroisoquinolin-4-one is sourced from PubChem (CID 10630812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).