(5R)-3,3-difluoro-5-[(E,3S,4R)-3-hydroxy-4-methylnon-1-en-6-ynyl]-1-nona-4,6-dienylpyrrolidin-2-one;uranium(2+)

C23H31F2NO2U — CID 162593186

About (5R)-3,3-difluoro-5-[(E,3S,4R)-3-hydroxy-4-methylnon-1-en-6-ynyl]-1-nona-4,6-dienylpyrrolidin-2-one;uranium(2+)

(5R)-3,3-difluoro-5-[(E,3S,4R)-3-hydroxy-4-methylnon-1-en-6-ynyl]-1-nona-4,6-dienylpyrrolidin-2-one;uranium(2+) (PubChem CID 162593186) has the molecular formula C23H31F2NO2U and a molecular weight of 629.53 g/mol. Its IUPAC name is (5R)-3,3-difluoro-5-[(E,3S,4R)-3-hydroxy-4-methylnon-1-en-6-ynyl]-1-nona-4,6-dienylpyrrolidin-2-one;uranium(2+).

Molecular Properties

• Compound Name: (5R)-3,3-difluoro-5-[(E,3S,4R)-3-hydroxy-4-methylnon-1-en-6-ynyl]-1-nona-4,6-dienylpyrrolidin-2-one;uranium(2+)
• PubChem CID: 162593186
• Molecular Formula: C23H31F2NO2U
• Molecular Weight: 629.53 g/mol
• Exact Mass: 629.28
• IUPAC Name: (5R)-3,3-difluoro-5-[(E,3S,4R)-3-hydroxy-4-methylnon-1-en-6-ynyl]-1-nona-4,6-dienylpyrrolidin-2-one;uranium(2+)
• SMILES: CCC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCC/[C-]=C/C=[C-]/CC.[U+2]
• InChI: InChI=1S/C23H31F2NO2.U/c1-4-6-8-9-10-11-13-17-26-20(18-23(24,25)22(26)28)15-16-21(27)19(3)14-12-7-5-2;/h8-9,15-16,19-21,27H,4-5,11,13-14,17-18H2,1-3H3;/q-2;+2/b16-15+;/t19-,20+,21-;/m1./s1
• InChIKey: TYJNZAWICCQLLH-NPJBNYBASA-N
• XLogP: 4.49
• TPSA: 40.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	629.53
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-3,3-difluoro-5-[(E,3S,4R)-3-hydroxy-4-methylnon-1-en-6-ynyl]-1-nona-4,6-dienylpyrrolidin-2-one;uranium(2+)?

The IUPAC name of (5R)-3,3-difluoro-5-[(E,3S,4R)-3-hydroxy-4-methylnon-1-en-6-ynyl]-1-nona-4,6-dienylpyrrolidin-2-one;uranium(2+) (CID 162593186) is (5R)-3,3-difluoro-5-[(E,3S,4R)-3-hydroxy-4-methylnon-1-en-6-ynyl]-1-nona-4,6-dienylpyrrolidin-2-one;uranium(2+).

What is the SMILES notation for (5R)-3,3-difluoro-5-[(E,3S,4R)-3-hydroxy-4-methylnon-1-en-6-ynyl]-1-nona-4,6-dienylpyrrolidin-2-one;uranium(2+)?

The canonical SMILES for (5R)-3,3-difluoro-5-[(E,3S,4R)-3-hydroxy-4-methylnon-1-en-6-ynyl]-1-nona-4,6-dienylpyrrolidin-2-one;uranium(2+) is CCC#CC[C@@H](C)[C@H](O)/C=C/[C@H]1CC(F)(F)C(=O)N1CCC/[C-]=C/C=[C-]/CC.[U+2].

What is the InChIKey of (5R)-3,3-difluoro-5-[(E,3S,4R)-3-hydroxy-4-methylnon-1-en-6-ynyl]-1-nona-4,6-dienylpyrrolidin-2-one;uranium(2+)?

The InChIKey is TYJNZAWICCQLLH-NPJBNYBASA-N. The full InChI is InChI=1S/C23H31F2NO2.U/c1-4-6-8-9-10-11-13-17-26-20(18-23(24,25)22(26)28)15-16-21(27)19(3)14-12-7-5-2;/h8-9,15-16,19-21,27H,4-5,11,13-14,17-18H2,1-3H3;/q-2;+2/b16-15+;/t19-,20+,21-;/m1./s1.

What are the key properties of (5R)-3,3-difluoro-5-[(E,3S,4R)-3-hydroxy-4-methylnon-1-en-6-ynyl]-1-nona-4,6-dienylpyrrolidin-2-one;uranium(2+)?

(5R)-3,3-difluoro-5-[(E,3S,4R)-3-hydroxy-4-methylnon-1-en-6-ynyl]-1-nona-4,6-dienylpyrrolidin-2-one;uranium(2+) has a molecular weight of 629.53 g/mol, XLogP of 4.49, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3,3-difluoro-5-[(E,3S,4R)-3-hydroxy-4-methylnon-1-en-6-ynyl]-1-nona-4,6-dienylpyrrolidin-2-one;uranium(2+) is sourced from PubChem (CID 162593186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).