2-(3-hydroxyprop-1-en-2-yl)isoindole-1,3-dione

C11H9NO3 — CID 134831051

IUPAC2-(3-hydroxyprop-1-en-2-yl)isoindole-1,3-dione
SMILESC=C(CO)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H9NO3/c1-7(6-13)12-10(14)8-4-2-3-5-9(8)11(12)15/h2-5,13H,1,6H2
InChIKeyVYBAGFXBIAUWRT-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.79
Rot. Bonds2

About 2-(3-hydroxyprop-1-en-2-yl)isoindole-1,3-dione

2-(3-hydroxyprop-1-en-2-yl)isoindole-1,3-dione (PubChem CID 134831051) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-en-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-en-2-yl)isoindole-1,3-dione
PubChem CID134831051
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-(3-hydroxyprop-1-en-2-yl)isoindole-1,3-dione
SMILESC=C(CO)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H9NO3/c1-7(6-13)12-10(14)8-4-2-3-5-9(8)11(12)15/h2-5,13H,1,6H2
InChIKeyVYBAGFXBIAUWRT-UHFFFAOYSA-N
XLogP0.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyisoindole-1,3-dione
CID 66775726
2-[3-(1,3-dioxoisoindol-2-yl)-3-oxopropyl]isoindole-1,3-dione
CID 23374871
azane;2-hydroxyisoindole-1,3-dione
CID 67653341
CID 66974961
CID 66974961
2-hydroxyisoindole-1,3-dione;propane
CID 143899638
2-[(E)-hex-3-en-3-yl]isoindole-1,3-dione
CID 100993985
2-[(1,3-dioxoisoindol-2-yl)methyl]prop-2-enenitrile
CID 11148545
N-chloro-2-(1,3-dioxoisoindol-2-yl)-2-oxoacetamide
CID 88648969
2-[3-(bromomethyl)but-3-enyl]isoindole-1,3-dione
CID 66603406
2-[(2Z,4E)-4-(1,3-dioxoisoindol-2-yl)hexa-2,4-dienyl]isoindole-1,3-dione;ethene
CID 143563260
2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
CID 21468228
2-(2-fluoro-4-hydroxy-3-methylbut-2-enyl)isoindole-1,3-dione
CID 158516892

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyprop-1-en-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(3-hydroxyprop-1-en-2-yl)isoindole-1,3-dione (CID 134831051) is 2-(3-hydroxyprop-1-en-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(3-hydroxyprop-1-en-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(3-hydroxyprop-1-en-2-yl)isoindole-1,3-dione is C=C(CO)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(3-hydroxyprop-1-en-2-yl)isoindole-1,3-dione?
The InChIKey is VYBAGFXBIAUWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c1-7(6-13)12-10(14)8-4-2-3-5-9(8)11(12)15/h2-5,13H,1,6H2.
What are the key properties of 2-(3-hydroxyprop-1-en-2-yl)isoindole-1,3-dione?
2-(3-hydroxyprop-1-en-2-yl)isoindole-1,3-dione has a molecular weight of 203.20 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyprop-1-en-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 134831051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).