(3R)-3-hydroxy-3-propan-2-yl-2H-isoindol-1-one

C11H13NO2 — CID 124705216

IUPAC(3R)-3-hydroxy-3-propan-2-yl-2H-isoindol-1-one
SMILESCC(C)[C@]1(O)NC(=O)c2ccccc21
InChIInChI=1S/C11H13NO2/c1-7(2)11(14)9-6-4-3-5-8(9)10(13)12-11/h3-7,14H,1-2H3,(H,12,13)/t11-/m1/s1
InChIKeyHXDKJOHABWVWTN-LLVKDONJSA-N
MW191.23 g/mol
LogP1.23
Rot. Bonds1

About (3R)-3-hydroxy-3-propan-2-yl-2H-isoindol-1-one

(3R)-3-hydroxy-3-propan-2-yl-2H-isoindol-1-one (PubChem CID 124705216) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-propan-2-yl-2H-isoindol-1-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-propan-2-yl-2H-isoindol-1-one
PubChem CID124705216
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(3R)-3-hydroxy-3-propan-2-yl-2H-isoindol-1-one
SMILESCC(C)[C@]1(O)NC(=O)c2ccccc21
InChIInChI=1S/C11H13NO2/c1-7(2)11(14)9-6-4-3-5-8(9)10(13)12-11/h3-7,14H,1-2H3,(H,12,13)/t11-/m1/s1
InChIKeyHXDKJOHABWVWTN-LLVKDONJSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-3-[(N-methylanilino)methyl]-2H-isoindol-1-one
CID 12996970
3-hydroxy-3-prop-2-enyl-2H-isoindol-1-one
CID 14902933
dimethyl 3-oxo-2H-isoindole-1,1-dicarboxylate
CID 125471809
3-tert-butyl-3-deuteriooxy-2H-isoindol-1-one
CID 58979741
N,N-dimethyl-3-oxospiro[2H-isoindole-1,4'-piperidine]-1'-carboxamide
CID 97449355
(3S,3'R)-3'-propan-2-ylspiro[2H-isoindole-3,1'-cyclopentane]-1-one
CID 177291037
3,3-bis(4-hydroxy-3,5-dimethylphenyl)-2H-isoindol-1-one
CID 70289948
spiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione
CID 170518385
N-[(1R)-3-oxo-1-phenyl-2H-isoindol-1-yl]acetamide
CID 95561425
(3R)-3-hydroxy-3-(1H-imidazol-2-yl)-2H-isoindol-1-one
CID 869361
3-hydroxy-3-(3-phenoxypropyl)-2H-isoindol-1-one
CID 102212761
spiro[2H-isoindole-3,1'-indene]-1-one
CID 172685945

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-propan-2-yl-2H-isoindol-1-one?
The IUPAC name of (3R)-3-hydroxy-3-propan-2-yl-2H-isoindol-1-one (CID 124705216) is (3R)-3-hydroxy-3-propan-2-yl-2H-isoindol-1-one.
What is the SMILES notation for (3R)-3-hydroxy-3-propan-2-yl-2H-isoindol-1-one?
The canonical SMILES for (3R)-3-hydroxy-3-propan-2-yl-2H-isoindol-1-one is CC(C)[C@]1(O)NC(=O)c2ccccc21.
What is the InChIKey of (3R)-3-hydroxy-3-propan-2-yl-2H-isoindol-1-one?
The InChIKey is HXDKJOHABWVWTN-LLVKDONJSA-N. The full InChI is InChI=1S/C11H13NO2/c1-7(2)11(14)9-6-4-3-5-8(9)10(13)12-11/h3-7,14H,1-2H3,(H,12,13)/t11-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-propan-2-yl-2H-isoindol-1-one?
(3R)-3-hydroxy-3-propan-2-yl-2H-isoindol-1-one has a molecular weight of 191.23 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-propan-2-yl-2H-isoindol-1-one is sourced from PubChem (CID 124705216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).