ethyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate

C13H11NO3 — CID 11020666

IUPACethyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc2oc3ccccc3c2[nH]1
InChIInChI=1S/C13H11NO3/c1-2-16-13(15)9-7-11-12(14-9)8-5-3-4-6-10(8)17-11/h3-7,14H,2H2,1H3
InChIKeyYWWQJOHGNNWROG-UHFFFAOYSA-N
MW229.23 g/mol
LogP3.09
Rot. Bonds2

About ethyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate

ethyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate (PubChem CID 11020666) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is ethyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
PubChem CID11020666
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Nameethyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
SMILESCCOC(=O)c1cc2oc3ccccc3c2[nH]1
InChIInChI=1S/C13H11NO3/c1-2-16-13(15)9-7-11-12(14-9)8-5-3-4-6-10(8)17-11/h3-7,14H,2H2,1H3
InChIKeyYWWQJOHGNNWROG-UHFFFAOYSA-N
XLogP3.09
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate?
The IUPAC name of ethyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate (CID 11020666) is ethyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate is CCOC(=O)c1cc2oc3ccccc3c2[nH]1.
What is the InChIKey of ethyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate?
The InChIKey is YWWQJOHGNNWROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-2-16-13(15)9-7-11-12(14-9)8-5-3-4-6-10(8)17-11/h3-7,14H,2H2,1H3.
What are the key properties of ethyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate?
ethyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate has a molecular weight of 229.23 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate is sourced from PubChem (CID 11020666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).