3-methoxycarbonyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid

C9H7NO5 — CID 138007640

IUPAC3-methoxycarbonyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
SMILESCOC(=O)c1coc2cc(C(=O)O)[nH]c12
InChIInChI=1S/C9H7NO5/c1-14-9(13)4-3-15-6-2-5(8(11)12)10-7(4)6/h2-3,10H,1H3,(H,11,12)
InChIKeyFGOWTRCZTORGBP-UHFFFAOYSA-N
MW209.16 g/mol
LogP1.25
Rot. Bonds2

About 3-methoxycarbonyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid

3-methoxycarbonyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 138007640) has the molecular formula C9H7NO5 and a molecular weight of 209.16 g/mol. Its IUPAC name is 3-methoxycarbonyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name3-methoxycarbonyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
PubChem CID138007640
Molecular FormulaC9H7NO5
Molecular Weight209.16 g/mol
Exact Mass209.03
IUPAC Name3-methoxycarbonyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
SMILESCOC(=O)c1coc2cc(C(=O)O)[nH]c12
InChIInChI=1S/C9H7NO5/c1-14-9(13)4-3-15-6-2-5(8(11)12)10-7(4)6/h2-3,10H,1H3,(H,11,12)
InChIKeyFGOWTRCZTORGBP-UHFFFAOYSA-N
XLogP1.25
TPSA92.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 91411314
3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylic acid;ethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 161174395
3-cyano-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 66963304
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 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 59648581
3-(4-chlorophenyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 44576721
5-methoxycarbonyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 66595028
3-pyridin-3-yl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
CID 44576723
propan-2-yl 3-fluoro-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 70885158
methyl 6-fluoro-4-oxochromene-3-carboxylate
CID 170871804
methyl 7-bromo-5-methoxy-1-benzofuran-3-carboxylate
CID 165469253
dimethyl 7-hydroxy-4-methyl-1H-indole-2,5-dicarboxylate
CID 10706656

Frequently Asked Questions

What is the IUPAC name of 3-methoxycarbonyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 3-methoxycarbonyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid (CID 138007640) is 3-methoxycarbonyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 3-methoxycarbonyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 3-methoxycarbonyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid is COC(=O)c1coc2cc(C(=O)O)[nH]c12.
What is the InChIKey of 3-methoxycarbonyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is FGOWTRCZTORGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO5/c1-14-9(13)4-3-15-6-2-5(8(11)12)10-7(4)6/h2-3,10H,1H3,(H,11,12).
What are the key properties of 3-methoxycarbonyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
3-methoxycarbonyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 209.16 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycarbonyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 138007640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).