(5-methoxycarbonylfuran-2-yl)methyl 1-methylpyrrole-2-carboxylate

C13H13NO5 — CID 5217234

IUPAC(5-methoxycarbonylfuran-2-yl)methyl 1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cccn2C)o1
InChIInChI=1S/C13H13NO5/c1-14-7-3-4-10(14)12(15)18-8-9-5-6-11(19-9)13(16)17-2/h3-7H,8H2,1-2H3
InChIKeyAELLSLSWSKPRMK-UHFFFAOYSA-N
MW263.25 g/mol
LogP1.76
Rot. Bonds4

About (5-methoxycarbonylfuran-2-yl)methyl 1-methylpyrrole-2-carboxylate

(5-methoxycarbonylfuran-2-yl)methyl 1-methylpyrrole-2-carboxylate (PubChem CID 5217234) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is (5-methoxycarbonylfuran-2-yl)methyl 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name(5-methoxycarbonylfuran-2-yl)methyl 1-methylpyrrole-2-carboxylate
PubChem CID5217234
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name(5-methoxycarbonylfuran-2-yl)methyl 1-methylpyrrole-2-carboxylate
SMILESCOC(=O)c1ccc(COC(=O)c2cccn2C)o1
InChIInChI=1S/C13H13NO5/c1-14-7-3-4-10(14)12(15)18-8-9-5-6-11(19-9)13(16)17-2/h3-7H,8H2,1-2H3
InChIKeyAELLSLSWSKPRMK-UHFFFAOYSA-N
XLogP1.76
TPSA70.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl 1-methylpyrrole-2-carboxylate?
The IUPAC name of (5-methoxycarbonylfuran-2-yl)methyl 1-methylpyrrole-2-carboxylate (CID 5217234) is (5-methoxycarbonylfuran-2-yl)methyl 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for (5-methoxycarbonylfuran-2-yl)methyl 1-methylpyrrole-2-carboxylate?
The canonical SMILES for (5-methoxycarbonylfuran-2-yl)methyl 1-methylpyrrole-2-carboxylate is COC(=O)c1ccc(COC(=O)c2cccn2C)o1.
What is the InChIKey of (5-methoxycarbonylfuran-2-yl)methyl 1-methylpyrrole-2-carboxylate?
The InChIKey is AELLSLSWSKPRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5/c1-14-7-3-4-10(14)12(15)18-8-9-5-6-11(19-9)13(16)17-2/h3-7H,8H2,1-2H3.
What are the key properties of (5-methoxycarbonylfuran-2-yl)methyl 1-methylpyrrole-2-carboxylate?
(5-methoxycarbonylfuran-2-yl)methyl 1-methylpyrrole-2-carboxylate has a molecular weight of 263.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxycarbonylfuran-2-yl)methyl 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 5217234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).