1-[(2E,4Z,7E,9E)-7,9-difluoro-6-methylidene-5-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]undeca-2,4,7,9-tetraen-2-yl]pyrrolidine

C24H31F2N — CID 155236444

About 1-[(2E,4Z,7E,9E)-7,9-difluoro-6-methylidene-5-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]undeca-2,4,7,9-tetraen-2-yl]pyrrolidine

1-[(2E,4Z,7E,9E)-7,9-difluoro-6-methylidene-5-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]undeca-2,4,7,9-tetraen-2-yl]pyrrolidine (PubChem CID 155236444) has the molecular formula C24H31F2N and a molecular weight of 371.52 g/mol. Its IUPAC name is 1-[(2E,4Z,7E,9E)-7,9-difluoro-6-methylidene-5-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]undeca-2,4,7,9-tetraen-2-yl]pyrrolidine.

Molecular Properties

• Compound Name: 1-[(2E,4Z,7E,9E)-7,9-difluoro-6-methylidene-5-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]undeca-2,4,7,9-tetraen-2-yl]pyrrolidine
• PubChem CID: 155236444
• Molecular Formula: C24H31F2N
• Molecular Weight: 371.52 g/mol
• Exact Mass: 371.24
• IUPAC Name: 1-[(2E,4Z,7E,9E)-7,9-difluoro-6-methylidene-5-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]undeca-2,4,7,9-tetraen-2-yl]pyrrolidine
• SMILES: C=C(C)/C(=C/C)C(=C)/C(=C/C=C(\C)N1CCCC1)C(=C)/C(F)=C\C(F)=C/C
• InChI: InChI=1S/C24H31F2N/c1-8-21(25)16-24(26)20(7)23(19(6)22(9-2)17(3)4)13-12-18(5)27-14-10-11-15-27/h8-9,12-13,16H,3,6-7,10-11,14-15H2,1-2,4-5H3/b18-12+,21-8+,22-9-,23-13-,24-16+
• InChIKey: AHRYDJOCUWCCCP-IBUITZGVSA-N
• XLogP: 7.27
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	371.52
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z,7E,9E)-7,9-difluoro-6-methylidene-5-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]undeca-2,4,7,9-tetraen-2-yl]pyrrolidine?

The IUPAC name of 1-[(2E,4Z,7E,9E)-7,9-difluoro-6-methylidene-5-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]undeca-2,4,7,9-tetraen-2-yl]pyrrolidine (CID 155236444) is 1-[(2E,4Z,7E,9E)-7,9-difluoro-6-methylidene-5-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]undeca-2,4,7,9-tetraen-2-yl]pyrrolidine.

What is the SMILES notation for 1-[(2E,4Z,7E,9E)-7,9-difluoro-6-methylidene-5-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]undeca-2,4,7,9-tetraen-2-yl]pyrrolidine?

The canonical SMILES for 1-[(2E,4Z,7E,9E)-7,9-difluoro-6-methylidene-5-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]undeca-2,4,7,9-tetraen-2-yl]pyrrolidine is C=C(C)/C(=C/C)C(=C)/C(=C/C=C(\C)N1CCCC1)C(=C)/C(F)=C\C(F)=C/C.

What is the InChIKey of 1-[(2E,4Z,7E,9E)-7,9-difluoro-6-methylidene-5-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]undeca-2,4,7,9-tetraen-2-yl]pyrrolidine?

The InChIKey is AHRYDJOCUWCCCP-IBUITZGVSA-N. The full InChI is InChI=1S/C24H31F2N/c1-8-21(25)16-24(26)20(7)23(19(6)22(9-2)17(3)4)13-12-18(5)27-14-10-11-15-27/h8-9,12-13,16H,3,6-7,10-11,14-15H2,1-2,4-5H3/b18-12+,21-8+,22-9-,23-13-,24-16+.

What are the key properties of 1-[(2E,4Z,7E,9E)-7,9-difluoro-6-methylidene-5-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]undeca-2,4,7,9-tetraen-2-yl]pyrrolidine?

1-[(2E,4Z,7E,9E)-7,9-difluoro-6-methylidene-5-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]undeca-2,4,7,9-tetraen-2-yl]pyrrolidine has a molecular weight of 371.52 g/mol, XLogP of 7.27, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2E,4Z,7E,9E)-7,9-difluoro-6-methylidene-5-[(3Z)-3-prop-1-en-2-ylpenta-1,3-dien-2-yl]undeca-2,4,7,9-tetraen-2-yl]pyrrolidine is sourced from PubChem (CID 155236444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).