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

C32H50BrNO2Si — CID 90978619

About 5-[(2R)-2-[(1R,3aR,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-(2-phenylethyl)-3-propyl-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]-1-(2-phenylethyl)-3-propyl-3-trimethylsilyloxypyrrolidin-2-one (PubChem CID 90978619) has the molecular formula C32H50BrNO2Si and a molecular weight of 588.75 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]-1-(2-phenylethyl)-3-propyl-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]-1-(2-phenylethyl)-3-propyl-3-trimethylsilyloxypyrrolidin-2-one
• PubChem CID: 90978619
• Molecular Formula: C32H50BrNO2Si
• Molecular Weight: 588.75 g/mol
• Exact Mass: 587.28
• IUPAC Name: 5-[(2R)-2-[(1R,3aR,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-(2-phenylethyl)-3-propyl-3-trimethylsilyloxypyrrolidin-2-one
• SMILES: CCCC1(O[Si](C)(C)C)CC(C[C@@H](C)[C@H]2CC[C@H]3C(=CBr)CCC[C@]23C)N(CCc2ccccc2)C1=O
• InChI: InChI=1S/C32H50BrNO2Si/c1-7-18-32(36-37(4,5)6)22-27(34(30(32)35)20-17-25-12-9-8-10-13-25)21-24(2)28-15-16-29-26(23-33)14-11-19-31(28,29)3/h8-10,12-13,23-24,27-29H,7,11,14-22H2,1-6H3/t24-,27?,28-,29+,31-,32?/m1/s1
• InChIKey: AEPNSGSJAJOJDY-QTYCNSDRSA-N
• XLogP: 8.74
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	588.75
LogP ≤ 5	8.74
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]-1-(2-phenylethyl)-3-propyl-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]-1-(2-phenylethyl)-3-propyl-3-trimethylsilyloxypyrrolidin-2-one (CID 90978619) is 5-[(2R)-2-[(1R,3aR,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]propyl]-1-(2-phenylethyl)-3-propyl-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]-1-(2-phenylethyl)-3-propyl-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]-1-(2-phenylethyl)-3-propyl-3-trimethylsilyloxypyrrolidin-2-one is CCCC1(O[Si](C)(C)C)CC(C[C@@H](C)[C@H]2CC[C@H]3C(=CBr)CCC[C@]23C)N(CCc2ccccc2)C1=O.

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]-1-(2-phenylethyl)-3-propyl-3-trimethylsilyloxypyrrolidin-2-one?

The InChIKey is AEPNSGSJAJOJDY-QTYCNSDRSA-N. The full InChI is InChI=1S/C32H50BrNO2Si/c1-7-18-32(36-37(4,5)6)22-27(34(30(32)35)20-17-25-12-9-8-10-13-25)21-24(2)28-15-16-29-26(23-33)14-11-19-31(28,29)3/h8-10,12-13,23-24,27-29H,7,11,14-22H2,1-6H3/t24-,27?,28-,29+,31-,32?/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]-1-(2-phenylethyl)-3-propyl-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]-1-(2-phenylethyl)-3-propyl-3-trimethylsilyloxypyrrolidin-2-one has a molecular weight of 588.75 g/mol, XLogP of 8.74, 10 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]-1-(2-phenylethyl)-3-propyl-3-trimethylsilyloxypyrrolidin-2-one is sourced from PubChem (CID 90978619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).