2-[(2R)-1-hydroxypropan-2-yl]-6-methylisoquinolin-1-one

C13H15NO2 — CID 141188836

IUPAC2-[(2R)-1-hydroxypropan-2-yl]-6-methylisoquinolin-1-one
SMILESCc1ccc2c(=O)n([C@H](C)CO)ccc2c1
InChIInChI=1S/C13H15NO2/c1-9-3-4-12-11(7-9)5-6-14(13(12)16)10(2)8-15/h3-7,10,15H,8H2,1-2H3/t10-/m1/s1
InChIKeyXKNZCVPJZGYVEZ-SNVBAGLBSA-N
MW217.27 g/mol
LogP1.86
Rot. Bonds2

About 2-[(2R)-1-hydroxypropan-2-yl]-6-methylisoquinolin-1-one

2-[(2R)-1-hydroxypropan-2-yl]-6-methylisoquinolin-1-one (PubChem CID 141188836) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-[(2R)-1-hydroxypropan-2-yl]-6-methylisoquinolin-1-one.

Molecular Properties

Compound Name2-[(2R)-1-hydroxypropan-2-yl]-6-methylisoquinolin-1-one
PubChem CID141188836
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-[(2R)-1-hydroxypropan-2-yl]-6-methylisoquinolin-1-one
SMILESCc1ccc2c(=O)n([C@H](C)CO)ccc2c1
InChIInChI=1S/C13H15NO2/c1-9-3-4-12-11(7-9)5-6-14(13(12)16)10(2)8-15/h3-7,10,15H,8H2,1-2H3/t10-/m1/s1
InChIKeyXKNZCVPJZGYVEZ-SNVBAGLBSA-N
XLogP1.86
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-hydroxypropan-2-yl]-6-methylisoquinolin-1-one?
The IUPAC name of 2-[(2R)-1-hydroxypropan-2-yl]-6-methylisoquinolin-1-one (CID 141188836) is 2-[(2R)-1-hydroxypropan-2-yl]-6-methylisoquinolin-1-one.
What is the SMILES notation for 2-[(2R)-1-hydroxypropan-2-yl]-6-methylisoquinolin-1-one?
The canonical SMILES for 2-[(2R)-1-hydroxypropan-2-yl]-6-methylisoquinolin-1-one is Cc1ccc2c(=O)n([C@H](C)CO)ccc2c1.
What is the InChIKey of 2-[(2R)-1-hydroxypropan-2-yl]-6-methylisoquinolin-1-one?
The InChIKey is XKNZCVPJZGYVEZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-3-4-12-11(7-9)5-6-14(13(12)16)10(2)8-15/h3-7,10,15H,8H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-[(2R)-1-hydroxypropan-2-yl]-6-methylisoquinolin-1-one?
2-[(2R)-1-hydroxypropan-2-yl]-6-methylisoquinolin-1-one has a molecular weight of 217.27 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-hydroxypropan-2-yl]-6-methylisoquinolin-1-one is sourced from PubChem (CID 141188836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).