ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate

C9H9NO3 — CID 12733395

IUPACethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occc2[nH]1
InChIInChI=1S/C9H9NO3/c1-2-12-9(11)7-5-8-6(10-7)3-4-13-8/h3-5,10H,2H2,1H3
InChIKeyNNABKJKQNGGLKM-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.94
Rot. Bonds2

About ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate

ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 12733395) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID12733395
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Nameethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2occc2[nH]1
InChIInChI=1S/C9H9NO3/c1-2-12-9(11)7-5-8-6(10-7)3-4-13-8/h3-5,10H,2H2,1H3
InChIKeyNNABKJKQNGGLKM-UHFFFAOYSA-N
XLogP1.94
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2-Phenyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 343030
2-chloro-4H-furo(3,2-b)pyrrole-5-carboxylic acid
CID 22556501
4-Cyclohexyloxycarbonylmethyl-2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 652843
4-[(4-Methyl-cyclohexylcarbamoyl)-methyl]-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 656205
4-(4-Fluoro-benzyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 1438681
methyl 4-[1-(morpholin-4-ylcarbonyl)propyl]-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 3241399
methyl 4-(3-methylbenzyl)-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 16011036
Methyl 4-[2-(3-ethylanilino)-2-oxoethyl]-4H-furo[3,2-B]pyrrole-5-carboxylate
CID 16011039
methyl 4-{1-[(2-ethoxyanilino)carbonyl]propyl}-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 16011169

Frequently Asked Questions

What is the IUPAC name of ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate (CID 12733395) is ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2occc2[nH]1.
What is the InChIKey of ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is NNABKJKQNGGLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-2-12-9(11)7-5-8-6(10-7)3-4-13-8/h3-5,10H,2H2,1H3.
What are the key properties of ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate?
ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 179.17 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 12733395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).