1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C22H23N3O3S — CID 108604510

About 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 108604510) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
• PubChem CID: 108604510
• Molecular Formula: C22H23N3O3S
• Molecular Weight: 409.51 g/mol
• Exact Mass: 409.15
• IUPAC Name: 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
• SMILES: CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1c[nH]c2ccccc12
• InChI: InChI=1S/C22H23N3O3S/c1-24(2)10-6-11-25-19(15-13-23-16-8-4-3-7-14(15)16)18(21(27)22(25)28)20(26)17-9-5-12-29-17/h3-5,7-9,12-13,19,23,27H,6,10-11H2,1-2H3
• InChIKey: INZCLUYMAUEFBM-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 76.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.51
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?

The IUPAC name of 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 108604510) is 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

What is the SMILES notation for 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?

The canonical SMILES for 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1c[nH]c2ccccc12.

What is the InChIKey of 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?

The InChIKey is INZCLUYMAUEFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-24(2)10-6-11-25-19(15-13-23-16-8-4-3-7-14(15)16)18(21(27)22(25)28)20(26)17-9-5-12-29-17/h3-5,7-9,12-13,19,23,27H,6,10-11H2,1-2H3.

What are the key properties of 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?

1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 409.51 g/mol, XLogP of 3.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(dimethylamino)propyl]-4-hydroxy-2-(1H-indol-3-yl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108604510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).