methyl 1-(furan-2-ylmethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate

C12H13NO4 — CID 671089

IUPACmethyl 1-(furan-2-ylmethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
SMILESCOC(=O)C1=C(C)N(Cc2ccco2)C(=O)C1
InChIInChI=1S/C12H13NO4/c1-8-10(12(15)16-2)6-11(14)13(8)7-9-4-3-5-17-9/h3-5H,6-7H2,1-2H3
InChIKeyHNYYJPNLHIOQDO-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.46
Rot. Bonds3

About methyl 1-(furan-2-ylmethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate

methyl 1-(furan-2-ylmethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate (PubChem CID 671089) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is methyl 1-(furan-2-ylmethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(furan-2-ylmethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
PubChem CID671089
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Namemethyl 1-(furan-2-ylmethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate
SMILESCOC(=O)C1=C(C)N(Cc2ccco2)C(=O)C1
InChIInChI=1S/C12H13NO4/c1-8-10(12(15)16-2)6-11(14)13(8)7-9-4-3-5-17-9/h3-5H,6-7H2,1-2H3
InChIKeyHNYYJPNLHIOQDO-UHFFFAOYSA-N
XLogP1.46
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(furan-2-ylmethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
The IUPAC name of methyl 1-(furan-2-ylmethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate (CID 671089) is methyl 1-(furan-2-ylmethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate.
What is the SMILES notation for methyl 1-(furan-2-ylmethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
The canonical SMILES for methyl 1-(furan-2-ylmethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate is COC(=O)C1=C(C)N(Cc2ccco2)C(=O)C1.
What is the InChIKey of methyl 1-(furan-2-ylmethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
The InChIKey is HNYYJPNLHIOQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-8-10(12(15)16-2)6-11(14)13(8)7-9-4-3-5-17-9/h3-5H,6-7H2,1-2H3.
What are the key properties of methyl 1-(furan-2-ylmethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate?
methyl 1-(furan-2-ylmethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate has a molecular weight of 235.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(furan-2-ylmethyl)-5-methyl-2-oxo-3H-pyrrole-4-carboxylate is sourced from PubChem (CID 671089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).