3-hydroxy-2-prop-2-enyl-3H-isoindol-1-one

C11H11NO2 — CID 14611834

IUPAC3-hydroxy-2-prop-2-enyl-3H-isoindol-1-one
SMILESC=CCN1C(=O)c2ccccc2C1O
InChIInChI=1S/C11H11NO2/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h2-6,10,13H,1,7H2
InChIKeyNLIXNTMYAJXIIF-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.32
Rot. Bonds2

About 3-hydroxy-2-prop-2-enyl-3H-isoindol-1-one

3-hydroxy-2-prop-2-enyl-3H-isoindol-1-one (PubChem CID 14611834) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-hydroxy-2-prop-2-enyl-3H-isoindol-1-one.

Molecular Properties

Compound Name3-hydroxy-2-prop-2-enyl-3H-isoindol-1-one
PubChem CID14611834
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name3-hydroxy-2-prop-2-enyl-3H-isoindol-1-one
SMILESC=CCN1C(=O)c2ccccc2C1O
InChIInChI=1S/C11H11NO2/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h2-6,10,13H,1,7H2
InChIKeyNLIXNTMYAJXIIF-UHFFFAOYSA-N
XLogP1.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-3-hydroxy-2-phenyl-1H-isoindol-1-one
CID 86670
3-Hydroxy-2-(2-methylphenyl)isoindolin-1-one
CID 20854937
N-(2-Hydroxyethyl)phthalimide
CID 77499
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-3H-isoindol-1-one
CID 3240743
2-(2-ethoxy-2-oxoethyl)-3-oxo-1H-isoindole-4-carboxylic acid
CID 5308089
2-(3-Hydroxypropyl)isoindoline-1,3-dione
CID 70160
2-(4-fluorobenzyl)-3-methoxy-2,3-dihydro-1H-isoindol-1-one
CID 23724287
3-Benzyl-3-hydroxy-2-(3-morpholin-4-ylpropyl)isoindolin-1-one
CID 623769
2-Benzyl-3-hydroxy-3-methyl-2,3-dihydro-isoindol-1-one
CID 650824
2-(3-Methoxypropyl)-3-oxoisoindoline-4-carboxylic acid
CID 2064477

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-prop-2-enyl-3H-isoindol-1-one?
The IUPAC name of 3-hydroxy-2-prop-2-enyl-3H-isoindol-1-one (CID 14611834) is 3-hydroxy-2-prop-2-enyl-3H-isoindol-1-one.
What is the SMILES notation for 3-hydroxy-2-prop-2-enyl-3H-isoindol-1-one?
The canonical SMILES for 3-hydroxy-2-prop-2-enyl-3H-isoindol-1-one is C=CCN1C(=O)c2ccccc2C1O.
What is the InChIKey of 3-hydroxy-2-prop-2-enyl-3H-isoindol-1-one?
The InChIKey is NLIXNTMYAJXIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h2-6,10,13H,1,7H2.
What are the key properties of 3-hydroxy-2-prop-2-enyl-3H-isoindol-1-one?
3-hydroxy-2-prop-2-enyl-3H-isoindol-1-one has a molecular weight of 189.21 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-prop-2-enyl-3H-isoindol-1-one is sourced from PubChem (CID 14611834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).