[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate

C17H16N4O5 — CID 9064222

IUPAC[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
SMILESCc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)C(=O)N1CCNC1=O
InChIInChI=1S/C17H16N4O5/c1-10-13(12(9-18)15(25-10)20-6-3-4-7-20)16(23)26-11(2)14(22)21-8-5-19-17(21)24/h3-4,6-7,11H,5,8H2,1-2H3,(H,19,24)/t11-/m1/s1
InChIKeyDEFLTYTXLIVZKB-LLVKDONJSA-N
MW356.34 g/mol
LogP1.35
Rot. Bonds4

About [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate

[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate (PubChem CID 9064222) has the molecular formula C17H16N4O5 and a molecular weight of 356.34 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
PubChem CID9064222
Molecular FormulaC17H16N4O5
Molecular Weight356.34 g/mol
Exact Mass356.11
IUPAC Name[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate
SMILESCc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)C(=O)N1CCNC1=O
InChIInChI=1S/C17H16N4O5/c1-10-13(12(9-18)15(25-10)20-6-3-4-7-20)16(23)26-11(2)14(22)21-8-5-19-17(21)24/h3-4,6-7,11H,5,8H2,1-2H3,(H,19,24)/t11-/m1/s1
InChIKeyDEFLTYTXLIVZKB-LLVKDONJSA-N
XLogP1.35
TPSA117.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_F(5)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate (CID 9064222) is [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate is Cc1oc(-n2cccc2)c(C#N)c1C(=O)O[C@H](C)C(=O)N1CCNC1=O.
What is the InChIKey of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate?
The InChIKey is DEFLTYTXLIVZKB-LLVKDONJSA-N. The full InChI is InChI=1S/C17H16N4O5/c1-10-13(12(9-18)15(25-10)20-6-3-4-7-20)16(23)26-11(2)14(22)21-8-5-19-17(21)24/h3-4,6-7,11H,5,8H2,1-2H3,(H,19,24)/t11-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate?
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate has a molecular weight of 356.34 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate is sourced from PubChem (CID 9064222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).