methyl 2H-furo[2,3-c]pyrrole-6-carboxylate

C8H7NO3 — CID 165389612

IUPACmethyl 2H-furo[2,3-c]pyrrole-6-carboxylate
SMILESCOC(=O)C1=C2OCC=C2C=N1
InChIInChI=1S/C8H7NO3/c1-11-8(10)6-7-5(4-9-6)2-3-12-7/h2,4H,3H2,1H3
InChIKeyORWIMJDVAIUTMM-UHFFFAOYSA-N
MW165.15 g/mol
LogP0.41
Rot. Bonds1

About methyl 2H-furo[2,3-c]pyrrole-6-carboxylate

methyl 2H-furo[2,3-c]pyrrole-6-carboxylate (PubChem CID 165389612) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is methyl 2H-furo[2,3-c]pyrrole-6-carboxylate.

Molecular Properties

Compound Namemethyl 2H-furo[2,3-c]pyrrole-6-carboxylate
PubChem CID165389612
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Namemethyl 2H-furo[2,3-c]pyrrole-6-carboxylate
SMILESCOC(=O)C1=C2OCC=C2C=N1
InChIInChI=1S/C8H7NO3/c1-11-8(10)6-7-5(4-9-6)2-3-12-7/h2,4H,3H2,1H3
InChIKeyORWIMJDVAIUTMM-UHFFFAOYSA-N
XLogP0.41
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 5-amino-6-methyl-1,3-benzodioxole-4-carboxylate
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methyl 2,5-dihydro-1,2-oxazole-3-carboxylate
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dimethyl 2,5-dimethylfuran-3,4-dicarboxylate
CID 12706089
dimethyl thiophene-3,4-dicarboxylate
CID 58401193
methyl 5-methylpyrazolo[1,5-a]pyridine-6-carboxylate
CID 130065779
methyl 3-methylcyclohexa-1,3-diene-1-carboxylate
CID 12533909
methyl 5-methylcyclohepta-1,4,6-triene-1-carboxylate
CID 143390279
methyl 9-bromo-4-methyl-2,5-dihydro-1-benzoxepine-7-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 2H-furo[2,3-c]pyrrole-6-carboxylate?
The IUPAC name of methyl 2H-furo[2,3-c]pyrrole-6-carboxylate (CID 165389612) is methyl 2H-furo[2,3-c]pyrrole-6-carboxylate.
What is the SMILES notation for methyl 2H-furo[2,3-c]pyrrole-6-carboxylate?
The canonical SMILES for methyl 2H-furo[2,3-c]pyrrole-6-carboxylate is COC(=O)C1=C2OCC=C2C=N1.
What is the InChIKey of methyl 2H-furo[2,3-c]pyrrole-6-carboxylate?
The InChIKey is ORWIMJDVAIUTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c1-11-8(10)6-7-5(4-9-6)2-3-12-7/h2,4H,3H2,1H3.
What are the key properties of methyl 2H-furo[2,3-c]pyrrole-6-carboxylate?
methyl 2H-furo[2,3-c]pyrrole-6-carboxylate has a molecular weight of 165.15 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2H-furo[2,3-c]pyrrole-6-carboxylate is sourced from PubChem (CID 165389612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).