acetyloxymethyl 4-(acetyloxymethyl)furo[3,2-b]pyrrole-5-carboxylate

C13H13NO7 — CID 50924262

IUPACacetyloxymethyl 4-(acetyloxymethyl)furo[3,2-b]pyrrole-5-carboxylate
SMILESCC(=O)OCOC(=O)c1cc2occc2n1COC(C)=O
InChIInChI=1S/C13H13NO7/c1-8(15)19-6-14-10-3-4-18-12(10)5-11(14)13(17)21-7-20-9(2)16/h3-5H,6-7H2,1-2H3
InChIKeyREBSCONLZOTCJN-UHFFFAOYSA-N
MW295.25 g/mol
LogP1.43
Rot. Bonds5

About acetyloxymethyl 4-(acetyloxymethyl)furo[3,2-b]pyrrole-5-carboxylate

acetyloxymethyl 4-(acetyloxymethyl)furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 50924262) has the molecular formula C13H13NO7 and a molecular weight of 295.25 g/mol. Its IUPAC name is acetyloxymethyl 4-(acetyloxymethyl)furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameacetyloxymethyl 4-(acetyloxymethyl)furo[3,2-b]pyrrole-5-carboxylate
PubChem CID50924262
Molecular FormulaC13H13NO7
Molecular Weight295.25 g/mol
Exact Mass295.07
IUPAC Nameacetyloxymethyl 4-(acetyloxymethyl)furo[3,2-b]pyrrole-5-carboxylate
SMILESCC(=O)OCOC(=O)c1cc2occc2n1COC(C)=O
InChIInChI=1S/C13H13NO7/c1-8(15)19-6-14-10-3-4-18-12(10)5-11(14)13(17)21-7-20-9(2)16/h3-5H,6-7H2,1-2H3
InChIKeyREBSCONLZOTCJN-UHFFFAOYSA-N
XLogP1.43
TPSA96.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.25
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 acetyloxymethyl 4-(acetyloxymethyl)furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of acetyloxymethyl 4-(acetyloxymethyl)furo[3,2-b]pyrrole-5-carboxylate (CID 50924262) is acetyloxymethyl 4-(acetyloxymethyl)furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for acetyloxymethyl 4-(acetyloxymethyl)furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for acetyloxymethyl 4-(acetyloxymethyl)furo[3,2-b]pyrrole-5-carboxylate is CC(=O)OCOC(=O)c1cc2occc2n1COC(C)=O.
What is the InChIKey of acetyloxymethyl 4-(acetyloxymethyl)furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is REBSCONLZOTCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO7/c1-8(15)19-6-14-10-3-4-18-12(10)5-11(14)13(17)21-7-20-9(2)16/h3-5H,6-7H2,1-2H3.
What are the key properties of acetyloxymethyl 4-(acetyloxymethyl)furo[3,2-b]pyrrole-5-carboxylate?
acetyloxymethyl 4-(acetyloxymethyl)furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 295.25 g/mol, XLogP of 1.43, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxymethyl 4-(acetyloxymethyl)furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 50924262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).