4-(3-hydroxypropyl)isoindole-1,3-dione

C11H11NO3 — CID 18673592

IUPAC4-(3-hydroxypropyl)isoindole-1,3-dione
SMILESO=C1NC(=O)c2c(CCCO)cccc21
InChIInChI=1S/C11H11NO3/c13-6-2-4-7-3-1-5-8-9(7)11(15)12-10(8)14/h1,3,5,13H,2,4,6H2,(H,12,14,15)
InChIKeyKHXUWBTUFGABBI-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.50
Rot. Bonds3

About 4-(3-hydroxypropyl)isoindole-1,3-dione

4-(3-hydroxypropyl)isoindole-1,3-dione (PubChem CID 18673592) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-(3-hydroxypropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(3-hydroxypropyl)isoindole-1,3-dione
PubChem CID18673592
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name4-(3-hydroxypropyl)isoindole-1,3-dione
SMILESO=C1NC(=O)c2c(CCCO)cccc21
InChIInChI=1S/C11H11NO3/c13-6-2-4-7-3-1-5-8-9(7)11(15)12-10(8)14/h1,3,5,13H,2,4,6H2,(H,12,14,15)
InChIKeyKHXUWBTUFGABBI-UHFFFAOYSA-N
XLogP0.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypropyl)isoindole-1,3-dione?
The IUPAC name of 4-(3-hydroxypropyl)isoindole-1,3-dione (CID 18673592) is 4-(3-hydroxypropyl)isoindole-1,3-dione.
What is the SMILES notation for 4-(3-hydroxypropyl)isoindole-1,3-dione?
The canonical SMILES for 4-(3-hydroxypropyl)isoindole-1,3-dione is O=C1NC(=O)c2c(CCCO)cccc21.
What is the InChIKey of 4-(3-hydroxypropyl)isoindole-1,3-dione?
The InChIKey is KHXUWBTUFGABBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-6-2-4-7-3-1-5-8-9(7)11(15)12-10(8)14/h1,3,5,13H,2,4,6H2,(H,12,14,15).
What are the key properties of 4-(3-hydroxypropyl)isoindole-1,3-dione?
4-(3-hydroxypropyl)isoindole-1,3-dione has a molecular weight of 205.21 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypropyl)isoindole-1,3-dione is sourced from PubChem (CID 18673592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).