2-(2-oxo-2-pyrrolidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione

C14H18N2O4 — CID 2863083

IUPAC2-(2-oxo-2-pyrrolidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione
SMILESO=C1CCC2C(=O)N(CC(=O)N3CCCC3)C(=O)C2C1
InChIInChI=1S/C14H18N2O4/c17-9-3-4-10-11(7-9)14(20)16(13(10)19)8-12(18)15-5-1-2-6-15/h10-11H,1-8H2
InChIKeyCRYQBLLXSRUQPE-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.04
Rot. Bonds2

About 2-(2-oxo-2-pyrrolidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione

2-(2-oxo-2-pyrrolidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione (PubChem CID 2863083) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(2-oxo-2-pyrrolidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione.

Molecular Properties

Compound Name2-(2-oxo-2-pyrrolidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione
PubChem CID2863083
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-(2-oxo-2-pyrrolidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione
SMILESO=C1CCC2C(=O)N(CC(=O)N3CCCC3)C(=O)C2C1
InChIInChI=1S/C14H18N2O4/c17-9-3-4-10-11(7-9)14(20)16(13(10)19)8-12(18)15-5-1-2-6-15/h10-11H,1-8H2
InChIKeyCRYQBLLXSRUQPE-UHFFFAOYSA-N
XLogP-0.04
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
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 2-(2-oxo-2-pyrrolidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione?
The IUPAC name of 2-(2-oxo-2-pyrrolidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione (CID 2863083) is 2-(2-oxo-2-pyrrolidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione.
What is the SMILES notation for 2-(2-oxo-2-pyrrolidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione?
The canonical SMILES for 2-(2-oxo-2-pyrrolidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione is O=C1CCC2C(=O)N(CC(=O)N3CCCC3)C(=O)C2C1.
What is the InChIKey of 2-(2-oxo-2-pyrrolidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione?
The InChIKey is CRYQBLLXSRUQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c17-9-3-4-10-11(7-9)14(20)16(13(10)19)8-12(18)15-5-1-2-6-15/h10-11H,1-8H2.
What are the key properties of 2-(2-oxo-2-pyrrolidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione?
2-(2-oxo-2-pyrrolidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione has a molecular weight of 278.31 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-2-pyrrolidin-1-ylethyl)-4,6,7,7a-tetrahydro-3aH-isoindole-1,3,5-trione is sourced from PubChem (CID 2863083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).