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

C10H11NO — CID 11286623

IUPAC2-methyl-1,4-dihydroisoquinolin-3-one
SMILESCN1Cc2ccccc2CC1=O
InChIInChI=1S/C10H11NO/c1-11-7-9-5-3-2-4-8(9)6-10(11)12/h2-5H,6-7H2,1H3
InChIKeyNVQVKXJHCXPXIL-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.20
Rot. Bonds

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

2-methyl-1,4-dihydroisoquinolin-3-one (PubChem CID 11286623) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-methyl-1,4-dihydroisoquinolin-3-one.

Molecular Properties

Compound Name2-methyl-1,4-dihydroisoquinolin-3-one
PubChem CID11286623
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name2-methyl-1,4-dihydroisoquinolin-3-one
SMILESCN1Cc2ccccc2CC1=O
InChIInChI=1S/C10H11NO/c1-11-7-9-5-3-2-4-8(9)6-10(11)12/h2-5H,6-7H2,1H3
InChIKeyNVQVKXJHCXPXIL-UHFFFAOYSA-N
XLogP1.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,4-dihydroisoquinolin-3-one?
The IUPAC name of 2-methyl-1,4-dihydroisoquinolin-3-one (CID 11286623) is 2-methyl-1,4-dihydroisoquinolin-3-one.
What is the SMILES notation for 2-methyl-1,4-dihydroisoquinolin-3-one?
The canonical SMILES for 2-methyl-1,4-dihydroisoquinolin-3-one is CN1Cc2ccccc2CC1=O.
What is the InChIKey of 2-methyl-1,4-dihydroisoquinolin-3-one?
The InChIKey is NVQVKXJHCXPXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-11-7-9-5-3-2-4-8(9)6-10(11)12/h2-5H,6-7H2,1H3.
What are the key properties of 2-methyl-1,4-dihydroisoquinolin-3-one?
2-methyl-1,4-dihydroisoquinolin-3-one has a molecular weight of 161.20 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,4-dihydroisoquinolin-3-one is sourced from PubChem (CID 11286623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).