2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)isoindole-1,3-dione

C15H16N2O3 — CID 4588418

IUPAC2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)isoindole-1,3-dione
SMILESCC(C(=O)N1CCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H16N2O3/c1-10(13(18)16-8-4-5-9-16)17-14(19)11-6-2-3-7-12(11)15(17)20/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyOSVZLWPIBWPAMO-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.29
Rot. Bonds2

About 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)isoindole-1,3-dione

2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)isoindole-1,3-dione (PubChem CID 4588418) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)isoindole-1,3-dione
PubChem CID4588418
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)isoindole-1,3-dione
SMILESCC(C(=O)N1CCCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H16N2O3/c1-10(13(18)16-8-4-5-9-16)17-14(19)11-6-2-3-7-12(11)15(17)20/h2-3,6-7,10H,4-5,8-9H2,1H3
InChIKeyOSVZLWPIBWPAMO-UHFFFAOYSA-N
XLogP1.29
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.29
H-Bond Donors ≤ 50
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 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)isoindole-1,3-dione (CID 4588418) is 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)isoindole-1,3-dione is CC(C(=O)N1CCCC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)isoindole-1,3-dione?
The InChIKey is OSVZLWPIBWPAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10(13(18)16-8-4-5-9-16)17-14(19)11-6-2-3-7-12(11)15(17)20/h2-3,6-7,10H,4-5,8-9H2,1H3.
What are the key properties of 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)isoindole-1,3-dione?
2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)isoindole-1,3-dione has a molecular weight of 272.30 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 4588418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).