methyl 5-(furan-2-yl)-1H-pyrrole-2-carboxylate

C10H9NO3 — CID 6623248

IUPACmethyl 5-(furan-2-yl)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccco2)[nH]1
InChIInChI=1S/C10H9NO3/c1-13-10(12)8-5-4-7(11-8)9-3-2-6-14-9/h2-6,11H,1H3
InChIKeyFASXMVSZTWKXLD-UHFFFAOYSA-N
MW191.19 g/mol
LogP2.06
Rot. Bonds2

About methyl 5-(furan-2-yl)-1H-pyrrole-2-carboxylate

methyl 5-(furan-2-yl)-1H-pyrrole-2-carboxylate (PubChem CID 6623248) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl 5-(furan-2-yl)-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(furan-2-yl)-1H-pyrrole-2-carboxylate
PubChem CID6623248
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Namemethyl 5-(furan-2-yl)-1H-pyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(-c2ccco2)[nH]1
InChIInChI=1S/C10H9NO3/c1-13-10(12)8-5-4-7(11-8)9-3-2-6-14-9/h2-6,11H,1H3
InChIKeyFASXMVSZTWKXLD-UHFFFAOYSA-N
XLogP2.06
TPSA55.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(furan-2-yl)-1H-pyrrole-2-carboxylate?
The IUPAC name of methyl 5-(furan-2-yl)-1H-pyrrole-2-carboxylate (CID 6623248) is methyl 5-(furan-2-yl)-1H-pyrrole-2-carboxylate.
What is the SMILES notation for methyl 5-(furan-2-yl)-1H-pyrrole-2-carboxylate?
The canonical SMILES for methyl 5-(furan-2-yl)-1H-pyrrole-2-carboxylate is COC(=O)c1ccc(-c2ccco2)[nH]1.
What is the InChIKey of methyl 5-(furan-2-yl)-1H-pyrrole-2-carboxylate?
The InChIKey is FASXMVSZTWKXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-13-10(12)8-5-4-7(11-8)9-3-2-6-14-9/h2-6,11H,1H3.
What are the key properties of methyl 5-(furan-2-yl)-1H-pyrrole-2-carboxylate?
methyl 5-(furan-2-yl)-1H-pyrrole-2-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(furan-2-yl)-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 6623248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).