methyl 4-methylfuro[3,2-b]pyrrole-5-carboxylate

C9H9NO3 — CID 6623303

IUPACmethyl 4-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1C
InChIInChI=1S/C9H9NO3/c1-10-6-3-4-13-8(6)5-7(10)9(11)12-2/h3-5H,1-2H3
InChIKeyHLHDMNYTHYLWHL-UHFFFAOYSA-N
MW179.17 g/mol
LogP1.56
Rot. Bonds1

About methyl 4-methylfuro[3,2-b]pyrrole-5-carboxylate

methyl 4-methylfuro[3,2-b]pyrrole-5-carboxylate (PubChem CID 6623303) has the molecular formula C9H9NO3 and a molecular weight of 179.17 g/mol. Its IUPAC name is methyl 4-methylfuro[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-methylfuro[3,2-b]pyrrole-5-carboxylate
PubChem CID6623303
Molecular FormulaC9H9NO3
Molecular Weight179.17 g/mol
Exact Mass179.06
IUPAC Namemethyl 4-methylfuro[3,2-b]pyrrole-5-carboxylate
SMILESCOC(=O)c1cc2occc2n1C
InChIInChI=1S/C9H9NO3/c1-10-6-3-4-13-8(6)5-7(10)9(11)12-2/h3-5H,1-2H3
InChIKeyHLHDMNYTHYLWHL-UHFFFAOYSA-N
XLogP1.56
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
methyl 4-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 16011014
Methyl 4-{[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-YL]methyl}-4H-furo[3,2-B]pyrrole-5-carboxylate
CID 16011163
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
4-(2-Chloro-6-fluoro-benzyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid ethyl ester
CID 1438713
2,4-Dimethyl-5-furo[3,2-b]pyrrolecarboxylic acid [3-methyl-1-oxo-1-(2-oxolanylmethylamino)butan-2-yl] ester
CID 3228603
Methyl 4-[2-(3,5-dimethoxyanilino)-2-oxoethyl]furo[3,2-b]pyrrole-5-carboxylate
CID 3240031
methyl 4-[1-(morpholin-4-ylcarbonyl)propyl]-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 3241399

Frequently Asked Questions

What is the IUPAC name of methyl 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of methyl 4-methylfuro[3,2-b]pyrrole-5-carboxylate (CID 6623303) is methyl 4-methylfuro[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for methyl 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for methyl 4-methylfuro[3,2-b]pyrrole-5-carboxylate is COC(=O)c1cc2occc2n1C.
What is the InChIKey of methyl 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
The InChIKey is HLHDMNYTHYLWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO3/c1-10-6-3-4-13-8(6)5-7(10)9(11)12-2/h3-5H,1-2H3.
What are the key properties of methyl 4-methylfuro[3,2-b]pyrrole-5-carboxylate?
methyl 4-methylfuro[3,2-b]pyrrole-5-carboxylate has a molecular weight of 179.17 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methylfuro[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 6623303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).