2-propan-2-yloxy-3H-isoindol-1-one

C11H13NO2 — CID 89303277

IUPAC2-propan-2-yloxy-3H-isoindol-1-one
SMILESCC(C)ON1Cc2ccccc2C1=O
InChIInChI=1S/C11H13NO2/c1-8(2)14-12-7-9-5-3-4-6-10(9)11(12)13/h3-6,8H,7H2,1-2H3
InChIKeyRYQHDYIMMOZVFN-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.98
Rot. Bonds2

About 2-propan-2-yloxy-3H-isoindol-1-one

2-propan-2-yloxy-3H-isoindol-1-one (PubChem CID 89303277) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-propan-2-yloxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-propan-2-yloxy-3H-isoindol-1-one
PubChem CID89303277
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-propan-2-yloxy-3H-isoindol-1-one
SMILESCC(C)ON1Cc2ccccc2C1=O
InChIInChI=1S/C11H13NO2/c1-8(2)14-12-7-9-5-3-4-6-10(9)11(12)13/h3-6,8H,7H2,1-2H3
InChIKeyRYQHDYIMMOZVFN-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-propan-2-yloxy-3H-isoindol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azetidin-3-yloxy)-3H-isoindol-1-one
CID 175803051
2-stannyl-3H-isoindol-1-one
CID 151195244
2-(5-methylhexyl)-3H-isoindol-1-one
CID 142016970
2-butan-2-yl-3H-isoindol-1-one;ethane
CID 177036147
2-(4-methoxyanilino)-3H-isoindol-1-one
CID 141295142
2-bromo-3H-isoindol-1-one
CID 86611253
2-(3-oxo-1H-isoindol-2-yl)propanoate
CID 4178065
2-[(1-methyltetrazol-5-yl)methoxy]-3H-isoindol-1-one
CID 137389821
N-methyl-3-oxo-1H-isoindole-2-carboxamide
CID 90890545
ethane;2-methyl-3H-isoindol-1-one;propane
CID 171626915
2-[dideuterio-[1-[dideuterio(hydroxy)methyl]cyclopropyl]methoxy]-3H-isoindol-1-one
CID 175936007
propan-2-yl 2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanoate
CID 119036422

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-3H-isoindol-1-one?
The IUPAC name of 2-propan-2-yloxy-3H-isoindol-1-one (CID 89303277) is 2-propan-2-yloxy-3H-isoindol-1-one.
What is the SMILES notation for 2-propan-2-yloxy-3H-isoindol-1-one?
The canonical SMILES for 2-propan-2-yloxy-3H-isoindol-1-one is CC(C)ON1Cc2ccccc2C1=O.
What is the InChIKey of 2-propan-2-yloxy-3H-isoindol-1-one?
The InChIKey is RYQHDYIMMOZVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-8(2)14-12-7-9-5-3-4-6-10(9)11(12)13/h3-6,8H,7H2,1-2H3.
What are the key properties of 2-propan-2-yloxy-3H-isoindol-1-one?
2-propan-2-yloxy-3H-isoindol-1-one has a molecular weight of 191.23 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxy-3H-isoindol-1-one is sourced from PubChem (CID 89303277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).