ethyl 3-[(E)-2-phenylethenyl]-4H-furo[3,2-b]pyrrole-5-carboxylate

C17H15NO3 — CID 59648476

IUPACethyl 3-[(E)-2-phenylethenyl]-4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occ(/C=C/c3ccccc3)c2[nH]1
InChIInChI=1S/C17H15NO3/c1-2-20-17(19)14-10-15-16(18-14)13(11-21-15)9-8-12-6-4-3-5-7-12/h3-11,18H,2H2,1H3/b9-8+
InChIKeyOOWDCGMCFQICNN-CMDGGOBGSA-N
MW281.31 g/mol
LogP4.11
Rot. Bonds4

About ethyl 3-[(E)-2-phenylethenyl]-4H-furo[3,2-b]pyrrole-5-carboxylate

ethyl 3-[(E)-2-phenylethenyl]-4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 59648476) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is ethyl 3-[(E)-2-phenylethenyl]-4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(E)-2-phenylethenyl]-4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID59648476
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Nameethyl 3-[(E)-2-phenylethenyl]-4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occ(/C=C/c3ccccc3)c2[nH]1
InChIInChI=1S/C17H15NO3/c1-2-20-17(19)14-10-15-16(18-14)13(11-21-15)9-8-12-6-4-3-5-7-12/h3-11,18H,2H2,1H3/b9-8+
InChIKeyOOWDCGMCFQICNN-CMDGGOBGSA-N
XLogP4.11
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 59648581
3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylic acid;ethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 161174395
lithium;ethyl 3-(trifluoromethyl)-4H-furo[3,2-b]pyrrole-5-carboxylate;3-(trifluoromethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid;hydroxide;hydrate
CID 159835780
ethyl 4-oxo-1H-[1]benzofuro[3,2-b]pyridine-2-carboxylate
CID 10777524
ethyl acetate;stilbene
CID 159556390
ethyl carbamate;stilbene
CID 175156091
ethyl 2-(4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate;bis(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium
CID 156734946
ethyl 7-methyl-1H-indole-2-carboxylate
CID 1235155
ethyl 4-nitro-2-[(E)-2-phenylethenyl]benzoate
CID 21190867
ethyl 4-nitro-2-(2-phenylethenyl)benzoate
CID 70188435
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
diethyl 7-thia-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarboxylate
CID 11558576

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(E)-2-phenylethenyl]-4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 3-[(E)-2-phenylethenyl]-4H-furo[3,2-b]pyrrole-5-carboxylate (CID 59648476) is ethyl 3-[(E)-2-phenylethenyl]-4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 3-[(E)-2-phenylethenyl]-4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 3-[(E)-2-phenylethenyl]-4H-furo[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2occ(/C=C/c3ccccc3)c2[nH]1.
What is the InChIKey of ethyl 3-[(E)-2-phenylethenyl]-4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is OOWDCGMCFQICNN-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H15NO3/c1-2-20-17(19)14-10-15-16(18-14)13(11-21-15)9-8-12-6-4-3-5-7-12/h3-11,18H,2H2,1H3/b9-8+.
What are the key properties of ethyl 3-[(E)-2-phenylethenyl]-4H-furo[3,2-b]pyrrole-5-carboxylate?
ethyl 3-[(E)-2-phenylethenyl]-4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(E)-2-phenylethenyl]-4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 59648476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).