4H-furo[3,2-b]pyrrole-5-carbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate

C15H10N2O6 — CID 50924105

IUPAC4H-furo[3,2-b]pyrrole-5-carbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESO=C(OCOC(=O)c1cc2occc2[nH]1)c1cc2occc2[nH]1
InChIInChI=1S/C15H10N2O6/c18-14(10-5-12-8(16-10)1-3-20-12)22-7-23-15(19)11-6-13-9(17-11)2-4-21-13/h1-6,16-17H,7H2
InChIKeyQYISBZUJXFWHMR-UHFFFAOYSA-N
MW314.25 g/mol
LogP2.81
Rot. Bonds4

About 4H-furo[3,2-b]pyrrole-5-carbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate

4H-furo[3,2-b]pyrrole-5-carbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 50924105) has the molecular formula C15H10N2O6 and a molecular weight of 314.25 g/mol. Its IUPAC name is 4H-furo[3,2-b]pyrrole-5-carbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name4H-furo[3,2-b]pyrrole-5-carbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID50924105
Molecular FormulaC15H10N2O6
Molecular Weight314.25 g/mol
Exact Mass314.05
IUPAC Name4H-furo[3,2-b]pyrrole-5-carbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESO=C(OCOC(=O)c1cc2occc2[nH]1)c1cc2occc2[nH]1
InChIInChI=1S/C15H10N2O6/c18-14(10-5-12-8(16-10)1-3-20-12)22-7-23-15(19)11-6-13-9(17-11)2-4-21-13/h1-6,16-17H,7H2
InChIKeyQYISBZUJXFWHMR-UHFFFAOYSA-N
XLogP2.81
TPSA110.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.25
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4H-furo[3,2-b]pyrrole-5-carbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of 4H-furo[3,2-b]pyrrole-5-carbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate (CID 50924105) is 4H-furo[3,2-b]pyrrole-5-carbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for 4H-furo[3,2-b]pyrrole-5-carbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for 4H-furo[3,2-b]pyrrole-5-carbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate is O=C(OCOC(=O)c1cc2occc2[nH]1)c1cc2occc2[nH]1.
What is the InChIKey of 4H-furo[3,2-b]pyrrole-5-carbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is QYISBZUJXFWHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O6/c18-14(10-5-12-8(16-10)1-3-20-12)22-7-23-15(19)11-6-13-9(17-11)2-4-21-13/h1-6,16-17H,7H2.
What are the key properties of 4H-furo[3,2-b]pyrrole-5-carbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
4H-furo[3,2-b]pyrrole-5-carbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 314.25 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-furo[3,2-b]pyrrole-5-carbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 50924105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).