3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-4-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]pyrrole-2,5-dione

C29H32N4O2 — CID 144711421

About 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-4-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]pyrrole-2,5-dione

3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-4-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]pyrrole-2,5-dione (PubChem CID 144711421) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-4-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]pyrrole-2,5-dione.

Molecular Properties

• Compound Name: 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-4-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]pyrrole-2,5-dione
• PubChem CID: 144711421
• Molecular Formula: C29H32N4O2
• Molecular Weight: 468.60 g/mol
• Exact Mass: 468.25
• IUPAC Name: 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-4-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]pyrrole-2,5-dione
• SMILES: C=Cc1[nH]cc(C2=C(c3cn(CCC4CCCCN4C)c4ccccc34)C(=O)NC2=O)c1/C=C\C
• InChI: InChI=1S/C29H32N4O2/c1-4-10-20-22(17-30-24(20)5-2)26-27(29(35)31-28(26)34)23-18-33(25-13-7-6-12-21(23)25)16-14-19-11-8-9-15-32(19)3/h4-7,10,12-13,17-19,30H,2,8-9,11,14-16H2,1,3H3,(H,31,34,35)/b10-4-
• InChIKey: KCSWTKXMROQPJZ-WMZJFQQLSA-N
• XLogP: 5.09
• TPSA: 70.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.60
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-4-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]pyrrole-2,5-dione?

The IUPAC name of 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-4-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]pyrrole-2,5-dione (CID 144711421) is 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-4-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]pyrrole-2,5-dione.

What is the SMILES notation for 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-4-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]pyrrole-2,5-dione?

The canonical SMILES for 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-4-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]pyrrole-2,5-dione is C=Cc1[nH]cc(C2=C(c3cn(CCC4CCCCN4C)c4ccccc34)C(=O)NC2=O)c1/C=C\C.

What is the InChIKey of 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-4-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]pyrrole-2,5-dione?

The InChIKey is KCSWTKXMROQPJZ-WMZJFQQLSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-4-10-20-22(17-30-24(20)5-2)26-27(29(35)31-28(26)34)23-18-33(25-13-7-6-12-21(23)25)16-14-19-11-8-9-15-32(19)3/h4-7,10,12-13,17-19,30H,2,8-9,11,14-16H2,1,3H3,(H,31,34,35)/b10-4-.

What are the key properties of 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-4-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]pyrrole-2,5-dione?

3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-4-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]pyrrole-2,5-dione has a molecular weight of 468.60 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-ethenyl-4-[(Z)-prop-1-enyl]-1H-pyrrol-3-yl]-4-[1-[2-(1-methylpiperidin-2-yl)ethyl]indol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 144711421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).