[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-(phenoxymethyl)furan-2-carboxylate

C23H22N2O6 — CID 42450780

About [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-(phenoxymethyl)furan-2-carboxylate

[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-(phenoxymethyl)furan-2-carboxylate (PubChem CID 42450780) has the molecular formula C23H22N2O6 and a molecular weight of 422.44 g/mol. Its IUPAC name is [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-(phenoxymethyl)furan-2-carboxylate.

Molecular Properties

• Compound Name: [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-(phenoxymethyl)furan-2-carboxylate
• PubChem CID: 42450780
• Molecular Formula: C23H22N2O6
• Molecular Weight: 422.44 g/mol
• Exact Mass: 422.15
• IUPAC Name: [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-(phenoxymethyl)furan-2-carboxylate
• SMILES: O=C(COC(=O)c1occc1COc1ccccc1)c1c[nH]c(C(=O)N2CCCC2)c1
• InChI: InChI=1S/C23H22N2O6/c26-20(17-12-19(24-13-17)22(27)25-9-4-5-10-25)15-31-23(28)21-16(8-11-29-21)14-30-18-6-2-1-3-7-18/h1-3,6-8,11-13,24H,4-5,9-10,14-15H2
• InChIKey: UWTXROGFLJPGEF-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 101.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.44
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-(phenoxymethyl)furan-2-carboxylate?

The IUPAC name of [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-(phenoxymethyl)furan-2-carboxylate (CID 42450780) is [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-(phenoxymethyl)furan-2-carboxylate.

What is the SMILES notation for [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-(phenoxymethyl)furan-2-carboxylate?

The canonical SMILES for [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-(phenoxymethyl)furan-2-carboxylate is O=C(COC(=O)c1occc1COc1ccccc1)c1c[nH]c(C(=O)N2CCCC2)c1.

What is the InChIKey of [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-(phenoxymethyl)furan-2-carboxylate?

The InChIKey is UWTXROGFLJPGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O6/c26-20(17-12-19(24-13-17)22(27)25-9-4-5-10-25)15-31-23(28)21-16(8-11-29-21)14-30-18-6-2-1-3-7-18/h1-3,6-8,11-13,24H,4-5,9-10,14-15H2.

What are the key properties of [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-(phenoxymethyl)furan-2-carboxylate?

[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-(phenoxymethyl)furan-2-carboxylate has a molecular weight of 422.44 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl] 3-(phenoxymethyl)furan-2-carboxylate is sourced from PubChem (CID 42450780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).