2-(4H-furo[3,2-b]pyrrole-5-carbonyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate

C16H12N2O6 — CID 50924261

IUPAC2-(4H-furo[3,2-b]pyrrole-5-carbonyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESO=C(OCCOC(=O)c1cc2occc2[nH]1)c1cc2occc2[nH]1
InChIInChI=1S/C16H12N2O6/c19-15(11-7-13-9(17-11)1-3-21-13)23-5-6-24-16(20)12-8-14-10(18-12)2-4-22-14/h1-4,7-8,17-18H,5-6H2
InChIKeyRBJIFWWLAQNELW-UHFFFAOYSA-N
MW328.28 g/mol
LogP2.85
Rot. Bonds5

About 2-(4H-furo[3,2-b]pyrrole-5-carbonyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate

2-(4H-furo[3,2-b]pyrrole-5-carbonyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 50924261) has the molecular formula C16H12N2O6 and a molecular weight of 328.28 g/mol. Its IUPAC name is 2-(4H-furo[3,2-b]pyrrole-5-carbonyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name2-(4H-furo[3,2-b]pyrrole-5-carbonyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID50924261
Molecular FormulaC16H12N2O6
Molecular Weight328.28 g/mol
Exact Mass328.07
IUPAC Name2-(4H-furo[3,2-b]pyrrole-5-carbonyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESO=C(OCCOC(=O)c1cc2occc2[nH]1)c1cc2occc2[nH]1
InChIInChI=1S/C16H12N2O6/c19-15(11-7-13-9(17-11)1-3-21-13)23-5-6-24-16(20)12-8-14-10(18-12)2-4-22-14/h1-4,7-8,17-18H,5-6H2
InChIKeyRBJIFWWLAQNELW-UHFFFAOYSA-N
XLogP2.85
TPSA110.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4H-furo[3,2-b]pyrrole-5-carbonyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate 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 2-(4H-furo[3,2-b]pyrrole-5-carbonyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of 2-(4H-furo[3,2-b]pyrrole-5-carbonyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate (CID 50924261) is 2-(4H-furo[3,2-b]pyrrole-5-carbonyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for 2-(4H-furo[3,2-b]pyrrole-5-carbonyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for 2-(4H-furo[3,2-b]pyrrole-5-carbonyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate is O=C(OCCOC(=O)c1cc2occc2[nH]1)c1cc2occc2[nH]1.
What is the InChIKey of 2-(4H-furo[3,2-b]pyrrole-5-carbonyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is RBJIFWWLAQNELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O6/c19-15(11-7-13-9(17-11)1-3-21-13)23-5-6-24-16(20)12-8-14-10(18-12)2-4-22-14/h1-4,7-8,17-18H,5-6H2.
What are the key properties of 2-(4H-furo[3,2-b]pyrrole-5-carbonyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
2-(4H-furo[3,2-b]pyrrole-5-carbonyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 328.28 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-furo[3,2-b]pyrrole-5-carbonyloxy)ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 50924261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).