ethyl 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate

C15H14N2O3 — CID 164666183

IUPACethyl 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(-c2ccco2)cc1-c1ccc[nH]1
InChIInChI=1S/C15H14N2O3/c1-2-19-15(18)14-10(11-5-3-7-16-11)9-12(17-14)13-6-4-8-20-13/h3-9,16-17H,2H2,1H3
InChIKeyKKBSLZPRAACAAW-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.45
Rot. Bonds4

About ethyl 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate

ethyl 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate (PubChem CID 164666183) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is ethyl 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate
PubChem CID164666183
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Nameethyl 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]c(-c2ccco2)cc1-c1ccc[nH]1
InChIInChI=1S/C15H14N2O3/c1-2-19-15(18)14-10(11-5-3-7-16-11)9-12(17-14)13-6-4-8-20-13/h3-9,16-17H,2H2,1H3
InChIKeyKKBSLZPRAACAAW-UHFFFAOYSA-N
XLogP3.45
TPSA71.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate (CID 164666183) is ethyl 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]c(-c2ccco2)cc1-c1ccc[nH]1.
What is the InChIKey of ethyl 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate?
The InChIKey is KKBSLZPRAACAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-2-19-15(18)14-10(11-5-3-7-16-11)9-12(17-14)13-6-4-8-20-13/h3-9,16-17H,2H2,1H3.
What are the key properties of ethyl 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate?
ethyl 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate has a molecular weight of 270.29 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(furan-2-yl)-3-(1H-pyrrol-2-yl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 164666183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).