1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]butan-2-ylidene]pyrrolidine

C24H37N2+ — CID 59189291

About 1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]butan-2-ylidene]pyrrolidine

1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]butan-2-ylidene]pyrrolidine (PubChem CID 59189291) has the molecular formula C24H37N2+ and a molecular weight of 353.57 g/mol. Its IUPAC name is 1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]butan-2-ylidene]pyrrolidine.

Molecular Properties

• Compound Name: 1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]butan-2-ylidene]pyrrolidine
• PubChem CID: 59189291
• Molecular Formula: C24H37N2+
• Molecular Weight: 353.57 g/mol
• Exact Mass: 353.30
• IUPAC Name: 1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]butan-2-ylidene]pyrrolidine
• SMILES: CC(=C(C)C1=[N+](C)CCC1)C1=C(C)C(=C(C)C(C)=C2CCCN2C)CC1
• InChI: InChI=1S/C24H37N2/c1-16(18(3)23-10-8-14-25(23)6)21-12-13-22(20(21)5)17(2)19(4)24-11-9-15-26(24)7/h8-15H2,1-7H3/q+1
• InChIKey: PPTKCJUAIMIADH-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 6.25 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	353.57
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]butan-2-ylidene]pyrrolidine?

The IUPAC name of 1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]butan-2-ylidene]pyrrolidine (CID 59189291) is 1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]butan-2-ylidene]pyrrolidine.

What is the SMILES notation for 1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]butan-2-ylidene]pyrrolidine?

The canonical SMILES for 1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]butan-2-ylidene]pyrrolidine is CC(=C(C)C1=[N+](C)CCC1)C1=C(C)C(=C(C)C(C)=C2CCCN2C)CC1.

What is the InChIKey of 1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]butan-2-ylidene]pyrrolidine?

The InChIKey is PPTKCJUAIMIADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N2/c1-16(18(3)23-10-8-14-25(23)6)21-12-13-22(20(21)5)17(2)19(4)24-11-9-15-26(24)7/h8-15H2,1-7H3/q+1.

What are the key properties of 1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]butan-2-ylidene]pyrrolidine?

1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]butan-2-ylidene]pyrrolidine has a molecular weight of 353.57 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2-[3-[2-methyl-3-[3-(1-methyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]butan-2-ylidene]pyrrolidine is sourced from PubChem (CID 59189291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).