6-hydroxy-7-methyl-2,3-dihydroisoindol-1-one

C9H9NO2 — CID 66545208

IUPAC6-hydroxy-7-methyl-2,3-dihydroisoindol-1-one
SMILESCc1c(O)ccc2c1C(=O)NC2
InChIInChI=1S/C9H9NO2/c1-5-7(11)3-2-6-4-10-9(12)8(5)6/h2-3,11H,4H2,1H3,(H,10,12)
InChIKeyDMYHFZSFHVSUQC-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.94
Rot. Bonds

About 6-hydroxy-7-methyl-2,3-dihydroisoindol-1-one

6-hydroxy-7-methyl-2,3-dihydroisoindol-1-one (PubChem CID 66545208) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 6-hydroxy-7-methyl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-hydroxy-7-methyl-2,3-dihydroisoindol-1-one
PubChem CID66545208
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name6-hydroxy-7-methyl-2,3-dihydroisoindol-1-one
SMILESCc1c(O)ccc2c1C(=O)NC2
InChIInChI=1S/C9H9NO2/c1-5-7(11)3-2-6-4-10-9(12)8(5)6/h2-3,11H,4H2,1H3,(H,10,12)
InChIKeyDMYHFZSFHVSUQC-UHFFFAOYSA-N
XLogP0.94
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-7-methyl-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-hydroxy-7-methyl-2,3-dihydroisoindol-1-one (CID 66545208) is 6-hydroxy-7-methyl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-hydroxy-7-methyl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-hydroxy-7-methyl-2,3-dihydroisoindol-1-one is Cc1c(O)ccc2c1C(=O)NC2.
What is the InChIKey of 6-hydroxy-7-methyl-2,3-dihydroisoindol-1-one?
The InChIKey is DMYHFZSFHVSUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-5-7(11)3-2-6-4-10-9(12)8(5)6/h2-3,11H,4H2,1H3,(H,10,12).
What are the key properties of 6-hydroxy-7-methyl-2,3-dihydroisoindol-1-one?
6-hydroxy-7-methyl-2,3-dihydroisoindol-1-one has a molecular weight of 163.18 g/mol, XLogP of 0.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-7-methyl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 66545208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).