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

C11H9N3O2 — CID 869361

IUPAC(3R)-3-hydroxy-3-(1H-imidazol-2-yl)-2H-isoindol-1-one
SMILESO=C1N[C@](O)(c2ncc[nH]2)c2ccccc21
InChIInChI=1S/C11H9N3O2/c15-9-7-3-1-2-4-8(7)11(16,14-9)10-12-5-6-13-10/h1-6,16H,(H,12,13)(H,14,15)/t11-/m1/s1
InChIKeyAMOLXUIUXLVXPV-LLVKDONJSA-N
MW215.21 g/mol
LogP0.35
Rot. Bonds1

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

(3R)-3-hydroxy-3-(1H-imidazol-2-yl)-2H-isoindol-1-one (PubChem CID 869361) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is (3R)-3-hydroxy-3-(1H-imidazol-2-yl)-2H-isoindol-1-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-3-(1H-imidazol-2-yl)-2H-isoindol-1-one
PubChem CID869361
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Name(3R)-3-hydroxy-3-(1H-imidazol-2-yl)-2H-isoindol-1-one
SMILESO=C1N[C@](O)(c2ncc[nH]2)c2ccccc21
InChIInChI=1S/C11H9N3O2/c15-9-7-3-1-2-4-8(7)11(16,14-9)10-12-5-6-13-10/h1-6,16H,(H,12,13)(H,14,15)/t11-/m1/s1
InChIKeyAMOLXUIUXLVXPV-LLVKDONJSA-N
XLogP0.35
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-2-benzyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one
CID 781996
3-hydroxy-3-prop-2-enyl-2H-isoindol-1-one
CID 14902933
(3R)-3-hydroxy-3-(1H-imidazol-2-yl)-2-(4-methylphenyl)isoindol-1-one
CID 781985
(3S)-3-hydroxy-3-(1H-imidazol-2-yl)-2-(4-methylphenyl)isoindol-1-one
CID 781988
(3R)-2-cyclohexyl-3-hydroxy-3-(1H-imidazol-2-yl)isoindol-1-one
CID 869245
(3R)-3-hydroxy-3-propan-2-yl-2H-isoindol-1-one
CID 124705216
3-(1,4-benzodioxin-6-yl)-3-hydroxy-2H-isoindol-1-one
CID 134158585
spiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione
CID 170518385
3-hydroxy-3-(3-phenoxypropyl)-2H-isoindol-1-one
CID 102212761
1-[2-(1H-imidazol-2-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117394127
3-hydroxy-3-[(N-methylanilino)methyl]-2H-isoindol-1-one
CID 12996970
(3R,3'E)-3'-benzylidenespiro[2H-isoindole-3,2'-oxolane]-1-one
CID 166445870

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-3-(1H-imidazol-2-yl)-2H-isoindol-1-one?
The IUPAC name of (3R)-3-hydroxy-3-(1H-imidazol-2-yl)-2H-isoindol-1-one (CID 869361) is (3R)-3-hydroxy-3-(1H-imidazol-2-yl)-2H-isoindol-1-one.
What is the SMILES notation for (3R)-3-hydroxy-3-(1H-imidazol-2-yl)-2H-isoindol-1-one?
The canonical SMILES for (3R)-3-hydroxy-3-(1H-imidazol-2-yl)-2H-isoindol-1-one is O=C1N[C@](O)(c2ncc[nH]2)c2ccccc21.
What is the InChIKey of (3R)-3-hydroxy-3-(1H-imidazol-2-yl)-2H-isoindol-1-one?
The InChIKey is AMOLXUIUXLVXPV-LLVKDONJSA-N. The full InChI is InChI=1S/C11H9N3O2/c15-9-7-3-1-2-4-8(7)11(16,14-9)10-12-5-6-13-10/h1-6,16H,(H,12,13)(H,14,15)/t11-/m1/s1.
What are the key properties of (3R)-3-hydroxy-3-(1H-imidazol-2-yl)-2H-isoindol-1-one?
(3R)-3-hydroxy-3-(1H-imidazol-2-yl)-2H-isoindol-1-one has a molecular weight of 215.21 g/mol, XLogP of 0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-3-(1H-imidazol-2-yl)-2H-isoindol-1-one is sourced from PubChem (CID 869361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).