(3R)-2-cyclohexyl-3-hydroxy-3H-isoindol-1-one

C14H17NO2 — CID 41068708

IUPAC(3R)-2-cyclohexyl-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2ccccc2[C@@H](O)N1C1CCCCC1
InChIInChI=1S/C14H17NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h4-5,8-10,13,16H,1-3,6-7H2/t13-/m1/s1
InChIKeyQFJYVOQFFWBMQB-CYBMUJFWSA-N
MW231.30 g/mol
LogP2.47
Rot. Bonds1

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

(3R)-2-cyclohexyl-3-hydroxy-3H-isoindol-1-one (PubChem CID 41068708) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is (3R)-2-cyclohexyl-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name(3R)-2-cyclohexyl-3-hydroxy-3H-isoindol-1-one
PubChem CID41068708
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name(3R)-2-cyclohexyl-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2ccccc2[C@@H](O)N1C1CCCCC1
InChIInChI=1S/C14H17NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h4-5,8-10,13,16H,1-3,6-7H2/t13-/m1/s1
InChIKeyQFJYVOQFFWBMQB-CYBMUJFWSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-2-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 3293225
2-cyclooctyl-N-cyclopentyl-3-oxo-1H-isoindole-1-carboxamide
CID 4252906
(3S)-2-cyclododecyl-3-methoxy-3H-isoindol-1-one
CID 7312861
3-cyclohexyl-2-cyclopentyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 110457479
(3S)-2-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-hydroxy-3H-isoindol-1-one
CID 124770676
(3R)-2-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-3-hydroxy-3H-isoindol-1-one
CID 7315793
(3R,4R)-2-cyclohexyl-4-(hydroxymethyl)-3-phenyl-3,4-dihydroisoquinolin-1-one
CID 10042596
N-butan-2-yl-2-cycloheptyl-3-oxo-1H-isoindole-1-carboxamide
CID 4279148
2-cyclohexyl-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide
CID 10808642
N-tert-butyl-6-cyclohexyl-5-oxo-7H-benzo[d][2]benzazepine-7-carboxamide
CID 53243914
3-(1-hydroxy-3-oxo-1H-isoindol-2-yl)oxane-2,6-dione
CID 153133719
(3S,4S)-3-(4-chlorophenyl)-2-cyclohexyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 7062120

Frequently Asked Questions

What is the IUPAC name of (3R)-2-cyclohexyl-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of (3R)-2-cyclohexyl-3-hydroxy-3H-isoindol-1-one (CID 41068708) is (3R)-2-cyclohexyl-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for (3R)-2-cyclohexyl-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for (3R)-2-cyclohexyl-3-hydroxy-3H-isoindol-1-one is O=C1c2ccccc2[C@@H](O)N1C1CCCCC1.
What is the InChIKey of (3R)-2-cyclohexyl-3-hydroxy-3H-isoindol-1-one?
The InChIKey is QFJYVOQFFWBMQB-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17NO2/c16-13-11-8-4-5-9-12(11)14(17)15(13)10-6-2-1-3-7-10/h4-5,8-10,13,16H,1-3,6-7H2/t13-/m1/s1.
What are the key properties of (3R)-2-cyclohexyl-3-hydroxy-3H-isoindol-1-one?
(3R)-2-cyclohexyl-3-hydroxy-3H-isoindol-1-one has a molecular weight of 231.30 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-cyclohexyl-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 41068708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).