6-methyl-3,4-dihydro-2H-isoquinolin-1-one

C10H11NO — CID 22890891

IUPAC6-methyl-3,4-dihydro-2H-isoquinolin-1-one
SMILESCc1ccc2c(c1)CCNC2=O
InChIInChI=1S/C10H11NO/c1-7-2-3-9-8(6-7)4-5-11-10(9)12/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKeyUYZJTSNVWCNCIR-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.28
Rot. Bonds

About 6-methyl-3,4-dihydro-2H-isoquinolin-1-one

6-methyl-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 22890891) has the molecular formula C10H11NO and a molecular weight of 161.20 g/mol. Its IUPAC name is 6-methyl-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name6-methyl-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID22890891
Molecular FormulaC10H11NO
Molecular Weight161.20 g/mol
Exact Mass161.08
IUPAC Name6-methyl-3,4-dihydro-2H-isoquinolin-1-one
SMILESCc1ccc2c(c1)CCNC2=O
InChIInChI=1S/C10H11NO/c1-7-2-3-9-8(6-7)4-5-11-10(9)12/h2-3,6H,4-5H2,1H3,(H,11,12)
InChIKeyUYZJTSNVWCNCIR-UHFFFAOYSA-N
XLogP1.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 6-methyl-3,4-dihydro-2H-isoquinolin-1-one (CID 22890891) is 6-methyl-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 6-methyl-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 6-methyl-3,4-dihydro-2H-isoquinolin-1-one is Cc1ccc2c(c1)CCNC2=O.
What is the InChIKey of 6-methyl-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is UYZJTSNVWCNCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO/c1-7-2-3-9-8(6-7)4-5-11-10(9)12/h2-3,6H,4-5H2,1H3,(H,11,12).
What are the key properties of 6-methyl-3,4-dihydro-2H-isoquinolin-1-one?
6-methyl-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 161.20 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 22890891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).