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

C12H9NO3 — CID 15259310

IUPACmethyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2oc3ccccc3c2[nH]1
InChIInChI=1S/C12H9NO3/c1-15-12(14)8-6-10-11(13-8)7-4-2-3-5-9(7)16-10/h2-6,13H,1H3
InChIKeyAOWSNWURKKOALC-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.70
Rot. Bonds1

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

methyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate (PubChem CID 15259310) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is methyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
PubChem CID15259310
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Namemethyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
SMILESCOC(=O)c1cc2oc3ccccc3c2[nH]1
InChIInChI=1S/C12H9NO3/c1-15-12(14)8-6-10-11(13-8)7-4-2-3-5-9(7)16-10/h2-6,13H,1H3
InChIKeyAOWSNWURKKOALC-UHFFFAOYSA-N
XLogP2.70
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate with MolForge

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Related Compounds

4H-Furo(3,2-b)pyrrole-5-carboxylic acid
CID 7141881
methyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 5082263
3-(2-phenylethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 44623061
4-[5-(7-methyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]benzoic acid
CID 10567482
2-Phenyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 343030
4-(4-Fluoro-benzyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 1438681
1-[2-(2-Methoxyanilino)-2-oxoethyl]-2-benzofuro[3,2-b]pyrrolecarboxylic acid methyl ester
CID 3238241
methyl 1-(pyridin-2-ylmethyl)-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate
CID 3238867
Methyl 4-[2-(3,5-dimethylanilino)-2-oxoethyl]-2-methyl-4H-furo[3,2-B]pyrrole-5-carboxylate
CID 3239201
1-methyl-N-(tetrahydrofuran-2-ylmethyl)-1H-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
CID 3241097
Methyl 1-{2-[3,4-dihydro-1(2H)-quinolinyl]-2-oxoethyl}-1H-[1]benzofuro[3,2-B]pyrrole-2-carboxylate
CID 6623196
N-benzyl-1-methyl-[1]benzofuro[3,2-b]pyrrole-2-carboxamide
CID 6623506

Frequently Asked Questions

What is the IUPAC name of methyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate?
The IUPAC name of methyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate (CID 15259310) is methyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate?
The canonical SMILES for methyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate is COC(=O)c1cc2oc3ccccc3c2[nH]1.
What is the InChIKey of methyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate?
The InChIKey is AOWSNWURKKOALC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c1-15-12(14)8-6-10-11(13-8)7-4-2-3-5-9(7)16-10/h2-6,13H,1H3.
What are the key properties of methyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate?
methyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate has a molecular weight of 215.21 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1H-[1]benzofuro[3,2-b]pyrrole-2-carboxylate is sourced from PubChem (CID 15259310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).