3-ethyl-3-hydroxy-2H-isoindol-1-one

C10H11NO2 — CID 53473500

IUPAC3-ethyl-3-hydroxy-2H-isoindol-1-one
SMILESCCC1(O)NC(=O)c2ccccc21
InChIInChI=1S/C10H11NO2/c1-2-10(13)8-6-4-3-5-7(8)9(12)11-10/h3-6,13H,2H2,1H3,(H,11,12)
InChIKeyKELVQLBDARZFDQ-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.99
Rot. Bonds1

About 3-ethyl-3-hydroxy-2H-isoindol-1-one

3-ethyl-3-hydroxy-2H-isoindol-1-one (PubChem CID 53473500) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 3-ethyl-3-hydroxy-2H-isoindol-1-one.

Molecular Properties

Compound Name3-ethyl-3-hydroxy-2H-isoindol-1-one
PubChem CID53473500
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name3-ethyl-3-hydroxy-2H-isoindol-1-one
SMILESCCC1(O)NC(=O)c2ccccc21
InChIInChI=1S/C10H11NO2/c1-2-10(13)8-6-4-3-5-7(8)9(12)11-10/h3-6,13H,2H2,1H3,(H,11,12)
InChIKeyKELVQLBDARZFDQ-UHFFFAOYSA-N
XLogP0.99
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Hydroxy-3-benzyl-2-prop-2-enylisoindolin-1-one
CID 2957302
2-Cyclopropyl-3-hydroxy-3-phenyl-1-isoindolinone
CID 2971914
2-benzyl-3-hydroxy-2,3-dihydro-1H-isoindol-1-one
CID 3240743
2-Benzyl-3-hydroxy-3-methyl-2,3-dihydro-isoindol-1-one
CID 650824
3-Benzyl-2-cyclohexyl-3-hydroxy-1-isoindolinone
CID 2955856
2-[2-(2-Fluorophenyl)ethyl]-3-hydroxy-3-methylisoindol-1-one
CID 3237528
3-Hydroxy-3-phenyl-2-(2-phenylethyl)-1-isoindolinone
CID 2974992
3-Benzyl-3-hydroxy-2-(1-phenylethyl)isoindol-1-one
CID 590523
3-Benzyl-3-hydroxy-2-isobutyl-2,3-dihydro-isoindol-1-one
CID 2898388
3-hydroxy-2-(1-phenylethyl)-3H-isoindol-1-one
CID 9550759
2,3-Dihydro-3-hydroxy-3-methyl-1H-isoindol-1-one
CID 11205953
2-(Tert-butylcarbamoyl)benzoic acid
CID 730584

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-hydroxy-2H-isoindol-1-one?
The IUPAC name of 3-ethyl-3-hydroxy-2H-isoindol-1-one (CID 53473500) is 3-ethyl-3-hydroxy-2H-isoindol-1-one.
What is the SMILES notation for 3-ethyl-3-hydroxy-2H-isoindol-1-one?
The canonical SMILES for 3-ethyl-3-hydroxy-2H-isoindol-1-one is CCC1(O)NC(=O)c2ccccc21.
What is the InChIKey of 3-ethyl-3-hydroxy-2H-isoindol-1-one?
The InChIKey is KELVQLBDARZFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-10(13)8-6-4-3-5-7(8)9(12)11-10/h3-6,13H,2H2,1H3,(H,11,12).
What are the key properties of 3-ethyl-3-hydroxy-2H-isoindol-1-one?
3-ethyl-3-hydroxy-2H-isoindol-1-one has a molecular weight of 177.20 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-hydroxy-2H-isoindol-1-one is sourced from PubChem (CID 53473500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).