1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one

C22H26N2O5 — CID 108586001

About 1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one

1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one (PubChem CID 108586001) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one
• PubChem CID: 108586001
• Molecular Formula: C22H26N2O5
• Molecular Weight: 398.46 g/mol
• Exact Mass: 398.18
• IUPAC Name: 1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one
• SMILES: CC(C)Oc1ccccc1C1C(C(=O)c2ccco2)=C(O)C(=O)N1CCN(C)C
• InChI: InChI=1S/C22H26N2O5/c1-14(2)29-16-9-6-5-8-15(16)19-18(20(25)17-10-7-13-28-17)21(26)22(27)24(19)12-11-23(3)4/h5-10,13-14,19,26H,11-12H2,1-4H3
• InChIKey: MRBJJCYRXFRKPW-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 83.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.46
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one?

The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one (CID 108586001) is 1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one.

What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one?

The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one is CC(C)Oc1ccccc1C1C(C(=O)c2ccco2)=C(O)C(=O)N1CCN(C)C.

What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one?

The InChIKey is MRBJJCYRXFRKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-14(2)29-16-9-6-5-8-15(16)19-18(20(25)17-10-7-13-28-17)21(26)22(27)24(19)12-11-23(3)4/h5-10,13-14,19,26H,11-12H2,1-4H3.

What are the key properties of 1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one?

1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one has a molecular weight of 398.46 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(dimethylamino)ethyl]-3-(furan-2-carbonyl)-4-hydroxy-2-(2-propan-2-yloxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108586001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).