4-(4-amino-2-oxopyrrolidin-1-yl)isoindole-1,3-dione

C12H11N3O3 — CID 168700806

IUPAC4-(4-amino-2-oxopyrrolidin-1-yl)isoindole-1,3-dione
SMILESNC1CC(=O)N(c2cccc3c2C(=O)NC3=O)C1
InChIInChI=1S/C12H11N3O3/c13-6-4-9(16)15(5-6)8-3-1-2-7-10(8)12(18)14-11(7)17/h1-3,6H,4-5,13H2,(H,14,17,18)
InChIKeyIQGNOHODPDWTMU-UHFFFAOYSA-N
MW245.24 g/mol
LogP-0.37
Rot. Bonds1

About 4-(4-amino-2-oxopyrrolidin-1-yl)isoindole-1,3-dione

4-(4-amino-2-oxopyrrolidin-1-yl)isoindole-1,3-dione (PubChem CID 168700806) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-(4-amino-2-oxopyrrolidin-1-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name4-(4-amino-2-oxopyrrolidin-1-yl)isoindole-1,3-dione
PubChem CID168700806
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name4-(4-amino-2-oxopyrrolidin-1-yl)isoindole-1,3-dione
SMILESNC1CC(=O)N(c2cccc3c2C(=O)NC3=O)C1
InChIInChI=1S/C12H11N3O3/c13-6-4-9(16)15(5-6)8-3-1-2-7-10(8)12(18)14-11(7)17/h1-3,6H,4-5,13H2,(H,14,17,18)
InChIKeyIQGNOHODPDWTMU-UHFFFAOYSA-N
XLogP-0.37
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(4-amino-2-oxopyrrolidin-1-yl)isoindole-1,3-dione?
The IUPAC name of 4-(4-amino-2-oxopyrrolidin-1-yl)isoindole-1,3-dione (CID 168700806) is 4-(4-amino-2-oxopyrrolidin-1-yl)isoindole-1,3-dione.
What is the SMILES notation for 4-(4-amino-2-oxopyrrolidin-1-yl)isoindole-1,3-dione?
The canonical SMILES for 4-(4-amino-2-oxopyrrolidin-1-yl)isoindole-1,3-dione is NC1CC(=O)N(c2cccc3c2C(=O)NC3=O)C1.
What is the InChIKey of 4-(4-amino-2-oxopyrrolidin-1-yl)isoindole-1,3-dione?
The InChIKey is IQGNOHODPDWTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c13-6-4-9(16)15(5-6)8-3-1-2-7-10(8)12(18)14-11(7)17/h1-3,6H,4-5,13H2,(H,14,17,18).
What are the key properties of 4-(4-amino-2-oxopyrrolidin-1-yl)isoindole-1,3-dione?
4-(4-amino-2-oxopyrrolidin-1-yl)isoindole-1,3-dione has a molecular weight of 245.24 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-oxopyrrolidin-1-yl)isoindole-1,3-dione is sourced from PubChem (CID 168700806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).