potassium;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;ethane;hydroperoxymethane;1H-indole-6-carboxylic acid;iodomethane;methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate;methyl 3-cyclopentyl-1H-indole-6-carboxylate;2-(trichloromethyl)oxolane;hydroxide

C81H97BrCl3IKN5O15 — CID 157099720

About potassium;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;ethane;hydroperoxymethane;1H-indole-6-carboxylic acid;iodomethane;methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate;methyl 3-cyclopentyl-1H-indole-6-carboxylate;2-(trichloromethyl)oxolane;hydroxide

potassium;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;ethane;hydroperoxymethane;1H-indole-6-carboxylic acid;iodomethane;methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate;methyl 3-cyclopentyl-1H-indole-6-carboxylate;2-(trichloromethyl)oxolane;hydroxide (PubChem CID 157099720) has the molecular formula C81H97BrCl3IKN5O15 and a molecular weight of 1732.95 g/mol. Its IUPAC name is potassium;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;ethane;hydroperoxymethane;1H-indole-6-carboxylic acid;iodomethane;methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate;methyl 3-cyclopentyl-1H-indole-6-carboxylate;2-(trichloromethyl)oxolane;hydroxide.

Molecular Properties

• Compound Name: potassium;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;ethane;hydroperoxymethane;1H-indole-6-carboxylic acid;iodomethane;methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate;methyl 3-cyclopentyl-1H-indole-6-carboxylate;2-(trichloromethyl)oxolane;hydroxide
• PubChem CID: 157099720
• Molecular Formula: C81H97BrCl3IKN5O15
• Molecular Weight: 1732.95 g/mol
• Exact Mass: 1729.39
• IUPAC Name: potassium;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;ethane;hydroperoxymethane;1H-indole-6-carboxylic acid;iodomethane;methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate;methyl 3-cyclopentyl-1H-indole-6-carboxylate;2-(trichloromethyl)oxolane;hydroxide
• SMILES: CC.CI.COC(=O)c1ccc2c(C3CCCC3)c(Br)[nH]c2c1.COC(=O)c1ccc2c(C3CCCC3)c[nH]c2c1.COO.ClC(Cl)(Cl)C1CCCO1.O=C(O)c1ccc2c(C3=CCCC3)c[nH]c2c1.O=C(O)c1ccc2c(C3CCCC3)c[nH]c2c1.O=C(O)c1ccc2cc[nH]c2c1.O=C1CCCC1.[K+].[OH-]
• InChI: InChI=1S/C15H16BrNO2.C15H17NO2.C14H15NO2.C14H13NO2.C9H7NO2.C5H7Cl3O.C5H8O.C2H6.CH3I.CH4O2.K.H2O/c1-19-15(18)10-6-7-11-12(8-10)17-14(16)13(11)9-4-2-3-5-9;1-18-15(17)11-6-7-12-13(9-16-14(12)8-11)10-4-2-3-5-10;2*16-14(17)10-5-6-11-12(8-15-13(11)7-10)9-3-1-2-4-9;11-9(12)7-2-1-6-3-4-10-8(6)5-7;6-5(7,8)4-2-1-3-9-4;6-5-3-1-2-4-5;2*1-2;1-3-2;;/h6-9,17H,2-5H2,1H3;6-10,16H,2-5H2,1H3;5-9,15H,1-4H2,(H,16,17);3,5-8,15H,1-2,4H2,(H,16,17);1-5,10H,(H,11,12);4H,1-3H2;1-4H2;1-2H3;1H3;2H,1H3;;1H2/q;;;;;;;;;;+1;/p-1
• InChIKey: AFPWZZMAGOBVCP-UHFFFAOYSA-M
• XLogP: 19.49
• TPSA: 329.21 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1732.95
LogP ≤ 5	19.49
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;ethane;hydroperoxymethane;1H-indole-6-carboxylic acid;iodomethane;methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate;methyl 3-cyclopentyl-1H-indole-6-carboxylate;2-(trichloromethyl)oxolane;hydroxide?

The IUPAC name of potassium;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;ethane;hydroperoxymethane;1H-indole-6-carboxylic acid;iodomethane;methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate;methyl 3-cyclopentyl-1H-indole-6-carboxylate;2-(trichloromethyl)oxolane;hydroxide (CID 157099720) is potassium;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;ethane;hydroperoxymethane;1H-indole-6-carboxylic acid;iodomethane;methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate;methyl 3-cyclopentyl-1H-indole-6-carboxylate;2-(trichloromethyl)oxolane;hydroxide.

What is the SMILES notation for potassium;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;ethane;hydroperoxymethane;1H-indole-6-carboxylic acid;iodomethane;methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate;methyl 3-cyclopentyl-1H-indole-6-carboxylate;2-(trichloromethyl)oxolane;hydroxide?

The canonical SMILES for potassium;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;ethane;hydroperoxymethane;1H-indole-6-carboxylic acid;iodomethane;methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate;methyl 3-cyclopentyl-1H-indole-6-carboxylate;2-(trichloromethyl)oxolane;hydroxide is CC.CI.COC(=O)c1ccc2c(C3CCCC3)c(Br)[nH]c2c1.COC(=O)c1ccc2c(C3CCCC3)c[nH]c2c1.COO.ClC(Cl)(Cl)C1CCCO1.O=C(O)c1ccc2c(C3=CCCC3)c[nH]c2c1.O=C(O)c1ccc2c(C3CCCC3)c[nH]c2c1.O=C(O)c1ccc2cc[nH]c2c1.O=C1CCCC1.[K+].[OH-].

What is the InChIKey of potassium;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;ethane;hydroperoxymethane;1H-indole-6-carboxylic acid;iodomethane;methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate;methyl 3-cyclopentyl-1H-indole-6-carboxylate;2-(trichloromethyl)oxolane;hydroxide?

The InChIKey is AFPWZZMAGOBVCP-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16BrNO2.C15H17NO2.C14H15NO2.C14H13NO2.C9H7NO2.C5H7Cl3O.C5H8O.C2H6.CH3I.CH4O2.K.H2O/c1-19-15(18)10-6-7-11-12(8-10)17-14(16)13(11)9-4-2-3-5-9;1-18-15(17)11-6-7-12-13(9-16-14(12)8-11)10-4-2-3-5-10;2*16-14(17)10-5-6-11-12(8-15-13(11)7-10)9-3-1-2-4-9;11-9(12)7-2-1-6-3-4-10-8(6)5-7;6-5(7,8)4-2-1-3-9-4;6-5-3-1-2-4-5;2*1-2;1-3-2;;/h6-9,17H,2-5H2,1H3;6-10,16H,2-5H2,1H3;5-9,15H,1-4H2,(H,16,17);3,5-8,15H,1-2,4H2,(H,16,17);1-5,10H,(H,11,12);4H,1-3H2;1-4H2;1-2H3;1H3;2H,1H3;;1H2/q;;;;;;;;;;+1;/p-1.

What are the key properties of potassium;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;ethane;hydroperoxymethane;1H-indole-6-carboxylic acid;iodomethane;methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate;methyl 3-cyclopentyl-1H-indole-6-carboxylate;2-(trichloromethyl)oxolane;hydroxide?

potassium;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;ethane;hydroperoxymethane;1H-indole-6-carboxylic acid;iodomethane;methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate;methyl 3-cyclopentyl-1H-indole-6-carboxylate;2-(trichloromethyl)oxolane;hydroxide has a molecular weight of 1732.95 g/mol, XLogP of 19.49, 9 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;cyclopentanone;3-(cyclopenten-1-yl)-1H-indole-6-carboxylic acid;3-cyclopentyl-1H-indole-6-carboxylic acid;ethane;hydroperoxymethane;1H-indole-6-carboxylic acid;iodomethane;methyl 2-bromo-3-cyclopentyl-1H-indole-6-carboxylate;methyl 3-cyclopentyl-1H-indole-6-carboxylate;2-(trichloromethyl)oxolane;hydroxide is sourced from PubChem (CID 157099720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).