4-hydroxy-1-(3-methoxypropyl)-2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C18H19NO5S — CID 108660273

About 4-hydroxy-1-(3-methoxypropyl)-2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

4-hydroxy-1-(3-methoxypropyl)-2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 108660273) has the molecular formula C18H19NO5S and a molecular weight of 361.42 g/mol. Its IUPAC name is 4-hydroxy-1-(3-methoxypropyl)-2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 4-hydroxy-1-(3-methoxypropyl)-2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
• PubChem CID: 108660273
• Molecular Formula: C18H19NO5S
• Molecular Weight: 361.42 g/mol
• Exact Mass: 361.10
• IUPAC Name: 4-hydroxy-1-(3-methoxypropyl)-2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
• SMILES: COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccc(C)o1
• InChI: InChI=1S/C18H19NO5S/c1-11-6-7-12(24-11)15-14(16(20)13-5-3-10-25-13)17(21)18(22)19(15)8-4-9-23-2/h3,5-7,10,15,21H,4,8-9H2,1-2H3
• InChIKey: IHRPQGWKPNMOAH-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 79.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	361.42
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-methoxypropyl)-2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?

The IUPAC name of 4-hydroxy-1-(3-methoxypropyl)-2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 108660273) is 4-hydroxy-1-(3-methoxypropyl)-2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

What is the SMILES notation for 4-hydroxy-1-(3-methoxypropyl)-2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?

The canonical SMILES for 4-hydroxy-1-(3-methoxypropyl)-2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is COCCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccc(C)o1.

What is the InChIKey of 4-hydroxy-1-(3-methoxypropyl)-2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?

The InChIKey is IHRPQGWKPNMOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5S/c1-11-6-7-12(24-11)15-14(16(20)13-5-3-10-25-13)17(21)18(22)19(15)8-4-9-23-2/h3,5-7,10,15,21H,4,8-9H2,1-2H3.

What are the key properties of 4-hydroxy-1-(3-methoxypropyl)-2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?

4-hydroxy-1-(3-methoxypropyl)-2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 361.42 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-1-(3-methoxypropyl)-2-(5-methylfuran-2-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108660273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).