2-hydroxy-1,3,3-trimethyl-1H-isoindole

C11H15NO — CID 67547990

IUPAC2-hydroxy-1,3,3-trimethyl-1H-isoindole
SMILESCC1c2ccccc2C(C)(C)N1O
InChIInChI=1S/C11H15NO/c1-8-9-6-4-5-7-10(9)11(2,3)12(8)13/h4-8,13H,1-3H3
InChIKeyIBZJKMAOMGLEMM-UHFFFAOYSA-N
MW177.25 g/mol
LogP2.69
Rot. Bonds

About 2-hydroxy-1,3,3-trimethyl-1H-isoindole

2-hydroxy-1,3,3-trimethyl-1H-isoindole (PubChem CID 67547990) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-hydroxy-1,3,3-trimethyl-1H-isoindole.

Molecular Properties

Compound Name2-hydroxy-1,3,3-trimethyl-1H-isoindole
PubChem CID67547990
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-hydroxy-1,3,3-trimethyl-1H-isoindole
SMILESCC1c2ccccc2C(C)(C)N1O
InChIInChI=1S/C11H15NO/c1-8-9-6-4-5-7-10(9)11(2,3)12(8)13/h4-8,13H,1-3H3
InChIKeyIBZJKMAOMGLEMM-UHFFFAOYSA-N
XLogP2.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,3,3-trimethyl-1H-isoindole?
The IUPAC name of 2-hydroxy-1,3,3-trimethyl-1H-isoindole (CID 67547990) is 2-hydroxy-1,3,3-trimethyl-1H-isoindole.
What is the SMILES notation for 2-hydroxy-1,3,3-trimethyl-1H-isoindole?
The canonical SMILES for 2-hydroxy-1,3,3-trimethyl-1H-isoindole is CC1c2ccccc2C(C)(C)N1O.
What is the InChIKey of 2-hydroxy-1,3,3-trimethyl-1H-isoindole?
The InChIKey is IBZJKMAOMGLEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-9-6-4-5-7-10(9)11(2,3)12(8)13/h4-8,13H,1-3H3.
What are the key properties of 2-hydroxy-1,3,3-trimethyl-1H-isoindole?
2-hydroxy-1,3,3-trimethyl-1H-isoindole has a molecular weight of 177.25 g/mol, XLogP of 2.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,3,3-trimethyl-1H-isoindole is sourced from PubChem (CID 67547990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).