3-[1-[2-(5-chloro-1H-indol-3-yl)ethylamino]ethenyl]-1-(3-pyrrol-1-ylphenyl)pyrrolidin-2-one

C26H25ClN4O — CID 70209880

About 3-[1-[2-(5-chloro-1H-indol-3-yl)ethylamino]ethenyl]-1-(3-pyrrol-1-ylphenyl)pyrrolidin-2-one

3-[1-[2-(5-chloro-1H-indol-3-yl)ethylamino]ethenyl]-1-(3-pyrrol-1-ylphenyl)pyrrolidin-2-one (PubChem CID 70209880) has the molecular formula C26H25ClN4O and a molecular weight of 444.97 g/mol. Its IUPAC name is 3-[1-[2-(5-chloro-1H-indol-3-yl)ethylamino]ethenyl]-1-(3-pyrrol-1-ylphenyl)pyrrolidin-2-one.

Molecular Properties

• Compound Name: 3-[1-[2-(5-chloro-1H-indol-3-yl)ethylamino]ethenyl]-1-(3-pyrrol-1-ylphenyl)pyrrolidin-2-one
• PubChem CID: 70209880
• Molecular Formula: C26H25ClN4O
• Molecular Weight: 444.97 g/mol
• Exact Mass: 444.17
• IUPAC Name: 3-[1-[2-(5-chloro-1H-indol-3-yl)ethylamino]ethenyl]-1-(3-pyrrol-1-ylphenyl)pyrrolidin-2-one
• SMILES: C=C(NCCc1c[nH]c2ccc(Cl)cc12)C1CCN(c2cccc(-n3cccc3)c2)C1=O
• InChI: InChI=1S/C26H25ClN4O/c1-18(28-11-9-19-17-29-25-8-7-20(27)15-24(19)25)23-10-14-31(26(23)32)22-6-4-5-21(16-22)30-12-2-3-13-30/h2-8,12-13,15-17,23,28-29H,1,9-11,14H2
• InChIKey: WWKLMACMSSMCDX-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 53.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	444.97
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(5-chloro-1H-indol-3-yl)ethylamino]ethenyl]-1-(3-pyrrol-1-ylphenyl)pyrrolidin-2-one?

The IUPAC name of 3-[1-[2-(5-chloro-1H-indol-3-yl)ethylamino]ethenyl]-1-(3-pyrrol-1-ylphenyl)pyrrolidin-2-one (CID 70209880) is 3-[1-[2-(5-chloro-1H-indol-3-yl)ethylamino]ethenyl]-1-(3-pyrrol-1-ylphenyl)pyrrolidin-2-one.

What is the SMILES notation for 3-[1-[2-(5-chloro-1H-indol-3-yl)ethylamino]ethenyl]-1-(3-pyrrol-1-ylphenyl)pyrrolidin-2-one?

The canonical SMILES for 3-[1-[2-(5-chloro-1H-indol-3-yl)ethylamino]ethenyl]-1-(3-pyrrol-1-ylphenyl)pyrrolidin-2-one is C=C(NCCc1c[nH]c2ccc(Cl)cc12)C1CCN(c2cccc(-n3cccc3)c2)C1=O.

What is the InChIKey of 3-[1-[2-(5-chloro-1H-indol-3-yl)ethylamino]ethenyl]-1-(3-pyrrol-1-ylphenyl)pyrrolidin-2-one?

The InChIKey is WWKLMACMSSMCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O/c1-18(28-11-9-19-17-29-25-8-7-20(27)15-24(19)25)23-10-14-31(26(23)32)22-6-4-5-21(16-22)30-12-2-3-13-30/h2-8,12-13,15-17,23,28-29H,1,9-11,14H2.

What are the key properties of 3-[1-[2-(5-chloro-1H-indol-3-yl)ethylamino]ethenyl]-1-(3-pyrrol-1-ylphenyl)pyrrolidin-2-one?

3-[1-[2-(5-chloro-1H-indol-3-yl)ethylamino]ethenyl]-1-(3-pyrrol-1-ylphenyl)pyrrolidin-2-one has a molecular weight of 444.97 g/mol, XLogP of 5.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[2-(5-chloro-1H-indol-3-yl)ethylamino]ethenyl]-1-(3-pyrrol-1-ylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 70209880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).