6-hydroxy-2-methyl-3H-isoindol-1-one

C9H9NO2 — CID 70310067

IUPAC6-hydroxy-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2ccc(O)cc2C1=O
InChIInChI=1S/C9H9NO2/c1-10-5-6-2-3-7(11)4-8(6)9(10)12/h2-4,11H,5H2,1H3
InChIKeyNSDPMSCJMHMIKP-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.98
Rot. Bonds

About 6-hydroxy-2-methyl-3H-isoindol-1-one

6-hydroxy-2-methyl-3H-isoindol-1-one (PubChem CID 70310067) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 6-hydroxy-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name6-hydroxy-2-methyl-3H-isoindol-1-one
PubChem CID70310067
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name6-hydroxy-2-methyl-3H-isoindol-1-one
SMILESCN1Cc2ccc(O)cc2C1=O
InChIInChI=1S/C9H9NO2/c1-10-5-6-2-3-7(11)4-8(6)9(10)12/h2-4,11H,5H2,1H3
InChIKeyNSDPMSCJMHMIKP-UHFFFAOYSA-N
XLogP0.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methyl-3H-isoindol-1-one?
The IUPAC name of 6-hydroxy-2-methyl-3H-isoindol-1-one (CID 70310067) is 6-hydroxy-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 6-hydroxy-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 6-hydroxy-2-methyl-3H-isoindol-1-one is CN1Cc2ccc(O)cc2C1=O.
What is the InChIKey of 6-hydroxy-2-methyl-3H-isoindol-1-one?
The InChIKey is NSDPMSCJMHMIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-10-5-6-2-3-7(11)4-8(6)9(10)12/h2-4,11H,5H2,1H3.
What are the key properties of 6-hydroxy-2-methyl-3H-isoindol-1-one?
6-hydroxy-2-methyl-3H-isoindol-1-one has a molecular weight of 163.18 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 70310067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).