5-[(2R)-2-[(1R,3aR,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyl-1-(2-naphthalen-2-ylethyl)-3-trimethylsilyloxypyrrolidin-2-one

C34H48BrNO2Si — CID 123562092

About 5-[(2R)-2-[(1R,3aR,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyl-1-(2-naphthalen-2-ylethyl)-3-trimethylsilyloxypyrrolidin-2-one

5-[(2R)-2-[(1R,3aR,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyl-1-(2-naphthalen-2-ylethyl)-3-trimethylsilyloxypyrrolidin-2-one (PubChem CID 123562092) has the molecular formula C34H48BrNO2Si and a molecular weight of 610.75 g/mol. Its IUPAC name is 5-[(2R)-2-[(1R,3aR,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyl-1-(2-naphthalen-2-ylethyl)-3-trimethylsilyloxypyrrolidin-2-one.

Molecular Properties

• Compound Name: 5-[(2R)-2-[(1R,3aR,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyl-1-(2-naphthalen-2-ylethyl)-3-trimethylsilyloxypyrrolidin-2-one
• PubChem CID: 123562092
• Molecular Formula: C34H48BrNO2Si
• Molecular Weight: 610.75 g/mol
• Exact Mass: 609.26
• IUPAC Name: 5-[(2R)-2-[(1R,3aR,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyl-1-(2-naphthalen-2-ylethyl)-3-trimethylsilyloxypyrrolidin-2-one
• SMILES: C[C@H](CC1CC(C)(O[Si](C)(C)C)C(=O)N1CCc1ccc2ccccc2c1)[C@H]1CC[C@H]2C(=CBr)CCC[C@]12C
• InChI: InChI=1S/C34H48BrNO2Si/c1-24(30-15-16-31-28(23-35)12-9-18-33(30,31)2)20-29-22-34(3,38-39(4,5)6)32(37)36(29)19-17-25-13-14-26-10-7-8-11-27(26)21-25/h7-8,10-11,13-14,21,23-24,29-31H,9,12,15-20,22H2,1-6H3/t24-,29?,30-,31+,33-,34?/m1/s1
• InChIKey: LQDYWPSTWJHOTO-RAKYOUCYSA-N
• XLogP: 9.11
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.75
LogP ≤ 5	9.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-[(1R,3aR,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyl-1-(2-naphthalen-2-ylethyl)-3-trimethylsilyloxypyrrolidin-2-one?

The IUPAC name of 5-[(2R)-2-[(1R,3aR,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyl-1-(2-naphthalen-2-ylethyl)-3-trimethylsilyloxypyrrolidin-2-one (CID 123562092) is 5-[(2R)-2-[(1R,3aR,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyl-1-(2-naphthalen-2-ylethyl)-3-trimethylsilyloxypyrrolidin-2-one.

What is the SMILES notation for 5-[(2R)-2-[(1R,3aR,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyl-1-(2-naphthalen-2-ylethyl)-3-trimethylsilyloxypyrrolidin-2-one?

The canonical SMILES for 5-[(2R)-2-[(1R,3aR,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyl-1-(2-naphthalen-2-ylethyl)-3-trimethylsilyloxypyrrolidin-2-one is C[C@H](CC1CC(C)(O[Si](C)(C)C)C(=O)N1CCc1ccc2ccccc2c1)[C@H]1CC[C@H]2C(=CBr)CCC[C@]12C.

What is the InChIKey of 5-[(2R)-2-[(1R,3aR,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyl-1-(2-naphthalen-2-ylethyl)-3-trimethylsilyloxypyrrolidin-2-one?

The InChIKey is LQDYWPSTWJHOTO-RAKYOUCYSA-N. The full InChI is InChI=1S/C34H48BrNO2Si/c1-24(30-15-16-31-28(23-35)12-9-18-33(30,31)2)20-29-22-34(3,38-39(4,5)6)32(37)36(29)19-17-25-13-14-26-10-7-8-11-27(26)21-25/h7-8,10-11,13-14,21,23-24,29-31H,9,12,15-20,22H2,1-6H3/t24-,29?,30-,31+,33-,34?/m1/s1.

What are the key properties of 5-[(2R)-2-[(1R,3aR,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyl-1-(2-naphthalen-2-ylethyl)-3-trimethylsilyloxypyrrolidin-2-one?

5-[(2R)-2-[(1R,3aR,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyl-1-(2-naphthalen-2-ylethyl)-3-trimethylsilyloxypyrrolidin-2-one has a molecular weight of 610.75 g/mol, XLogP of 9.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R)-2-[(1R,3aR,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-3-methyl-1-(2-naphthalen-2-ylethyl)-3-trimethylsilyloxypyrrolidin-2-one is sourced from PubChem (CID 123562092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).