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

C10H11NO4 — CID 70848637

IUPACethyl 2-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2oc(CO)cc2[nH]1
InChIInChI=1S/C10H11NO4/c1-2-14-10(13)8-4-9-7(11-8)3-6(5-12)15-9/h3-4,11-12H,2,5H2,1H3
InChIKeyHEYKZWZYMSZJLD-UHFFFAOYSA-N
MW209.20 g/mol
LogP1.43
Rot. Bonds3

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

ethyl 2-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 70848637) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is ethyl 2-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID70848637
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Nameethyl 2-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCCOC(=O)c1cc2oc(CO)cc2[nH]1
InChIInChI=1S/C10H11NO4/c1-2-14-10(13)8-4-9-7(11-8)3-6(5-12)15-9/h3-4,11-12H,2,5H2,1H3
InChIKeyHEYKZWZYMSZJLD-UHFFFAOYSA-N
XLogP1.43
TPSA75.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 3,6-dihydropyrrolo[3,2-e]indole-2,7-dicarboxylate
CID 12643444
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
ethyl 6-(hydroxymethyl)-4-oxo-1H-pyridine-2-carboxylate
CID 119084800
ethyl 3-bromo-4H-furo[3,2-b]pyrrole-5-carboxylate
CID 59648581
ethoxycarbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58134140
ethyl 7-hydroxy-4-oxochromene-2-carboxylate;7-hydroxy-2-(hydroxymethyl)chromen-4-one
CID 160975514
ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate
CID 68691266
ethyl 4-chloro-5-methyl-1H-pyrrole-2-carboxylate
CID 66707189
ethyl 2-acetyl-4H-thieno[3,2-b]pyrrole-5-carboxylate
CID 125472108
ethyl 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 130005141
ethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-2-carboxylate
CID 21111505

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of ethyl 2-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylate (CID 70848637) is ethyl 2-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for ethyl 2-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for ethyl 2-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylate is CCOC(=O)c1cc2oc(CO)cc2[nH]1.
What is the InChIKey of ethyl 2-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is HEYKZWZYMSZJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-2-14-10(13)8-4-9-7(11-8)3-6(5-12)15-9/h3-4,11-12H,2,5H2,1H3.
What are the key properties of ethyl 2-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylate?
ethyl 2-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 209.20 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 70848637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).