5-benzyl-2,3,3a,6a-tetrahydrofuro[2,3-c]pyrrole-4,6-dione

C13H13NO3 — CID 162343393

IUPAC5-benzyl-2,3,3a,6a-tetrahydrofuro[2,3-c]pyrrole-4,6-dione
SMILESO=C1C2CCOC2C(=O)N1Cc1ccccc1
InChIInChI=1S/C13H13NO3/c15-12-10-6-7-17-11(10)13(16)14(12)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyKXKXSPKRMPWBTR-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.96
Rot. Bonds2

About 5-benzyl-2,3,3a,6a-tetrahydrofuro[2,3-c]pyrrole-4,6-dione

5-benzyl-2,3,3a,6a-tetrahydrofuro[2,3-c]pyrrole-4,6-dione (PubChem CID 162343393) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 5-benzyl-2,3,3a,6a-tetrahydrofuro[2,3-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name5-benzyl-2,3,3a,6a-tetrahydrofuro[2,3-c]pyrrole-4,6-dione
PubChem CID162343393
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name5-benzyl-2,3,3a,6a-tetrahydrofuro[2,3-c]pyrrole-4,6-dione
SMILESO=C1C2CCOC2C(=O)N1Cc1ccccc1
InChIInChI=1S/C13H13NO3/c15-12-10-6-7-17-11(10)13(16)14(12)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKeyKXKXSPKRMPWBTR-UHFFFAOYSA-N
XLogP0.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-benzyl-2,3,3a,6a-tetrahydrofuro[2,3-c]pyrrole-4,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2,3,3a,6a-tetrahydrofuro[2,3-c]pyrrole-4,6-dione?
The IUPAC name of 5-benzyl-2,3,3a,6a-tetrahydrofuro[2,3-c]pyrrole-4,6-dione (CID 162343393) is 5-benzyl-2,3,3a,6a-tetrahydrofuro[2,3-c]pyrrole-4,6-dione.
What is the SMILES notation for 5-benzyl-2,3,3a,6a-tetrahydrofuro[2,3-c]pyrrole-4,6-dione?
The canonical SMILES for 5-benzyl-2,3,3a,6a-tetrahydrofuro[2,3-c]pyrrole-4,6-dione is O=C1C2CCOC2C(=O)N1Cc1ccccc1.
What is the InChIKey of 5-benzyl-2,3,3a,6a-tetrahydrofuro[2,3-c]pyrrole-4,6-dione?
The InChIKey is KXKXSPKRMPWBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-12-10-6-7-17-11(10)13(16)14(12)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2.
What are the key properties of 5-benzyl-2,3,3a,6a-tetrahydrofuro[2,3-c]pyrrole-4,6-dione?
5-benzyl-2,3,3a,6a-tetrahydrofuro[2,3-c]pyrrole-4,6-dione has a molecular weight of 231.25 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2,3,3a,6a-tetrahydrofuro[2,3-c]pyrrole-4,6-dione is sourced from PubChem (CID 162343393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).