9-butan-2-ylcarbazole;butan-2-ylcyclohexane;4-butan-2-ylcyclohexene;1-butan-2-yl-2,3-dihydroindole;1-butan-2-ylimidazole;10-butan-2-ylphenothiazine;10-butan-2-ylphenoxazine;1-butan-2-ylpyrene;4-butan-2-ylpyridine;1-butan-2-ylpyrrolidin-2-one

C124H164N8O2S — CID 157432208

About 9-butan-2-ylcarbazole;butan-2-ylcyclohexane;4-butan-2-ylcyclohexene;1-butan-2-yl-2,3-dihydroindole;1-butan-2-ylimidazole;10-butan-2-ylphenothiazine;10-butan-2-ylphenoxazine;1-butan-2-ylpyrene;4-butan-2-ylpyridine;1-butan-2-ylpyrrolidin-2-one

9-butan-2-ylcarbazole;butan-2-ylcyclohexane;4-butan-2-ylcyclohexene;1-butan-2-yl-2,3-dihydroindole;1-butan-2-ylimidazole;10-butan-2-ylphenothiazine;10-butan-2-ylphenoxazine;1-butan-2-ylpyrene;4-butan-2-ylpyridine;1-butan-2-ylpyrrolidin-2-one (PubChem CID 157432208) has the molecular formula C124H164N8O2S and a molecular weight of 1830.80 g/mol. Its IUPAC name is 9-butan-2-ylcarbazole;butan-2-ylcyclohexane;4-butan-2-ylcyclohexene;1-butan-2-yl-2,3-dihydroindole;1-butan-2-ylimidazole;10-butan-2-ylphenothiazine;10-butan-2-ylphenoxazine;1-butan-2-ylpyrene;4-butan-2-ylpyridine;1-butan-2-ylpyrrolidin-2-one.

Molecular Properties

• Compound Name: 9-butan-2-ylcarbazole;butan-2-ylcyclohexane;4-butan-2-ylcyclohexene;1-butan-2-yl-2,3-dihydroindole;1-butan-2-ylimidazole;10-butan-2-ylphenothiazine;10-butan-2-ylphenoxazine;1-butan-2-ylpyrene;4-butan-2-ylpyridine;1-butan-2-ylpyrrolidin-2-one
• PubChem CID: 157432208
• Molecular Formula: C124H164N8O2S
• Molecular Weight: 1830.80 g/mol
• Exact Mass: 1829.27
• IUPAC Name: 9-butan-2-ylcarbazole;butan-2-ylcyclohexane;4-butan-2-ylcyclohexene;1-butan-2-yl-2,3-dihydroindole;1-butan-2-ylimidazole;10-butan-2-ylphenothiazine;10-butan-2-ylphenoxazine;1-butan-2-ylpyrene;4-butan-2-ylpyridine;1-butan-2-ylpyrrolidin-2-one
• SMILES: CCC(C)C1CC=CCC1.CCC(C)C1CCCCC1.CCC(C)N1CCCC1=O.CCC(C)N1CCc2ccccc21.CCC(C)N1c2ccccc2Oc2ccccc21.CCC(C)N1c2ccccc2Sc2ccccc21.CCC(C)c1ccc2ccc3cccc4ccc1c2c34.CCC(C)c1ccncc1.CCC(C)n1c2ccccc2c2ccccc21.CCC(C)n1ccnc1
• InChI: InChI=1S/C20H18.C16H17NO.C16H17NS.C16H17N.C12H17N.C10H20.C10H18.C9H13N.C8H15NO.C7H12N2/c1-3-13(2)17-11-9-16-8-7-14-5-4-6-15-10-12-18(17)20(16)19(14)15;2*1-3-12(2)17-13-8-4-6-10-15(13)18-16-11-7-5-9-14(16)17;1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-3-10(2)13-9-8-11-6-4-5-7-12(11)13;2*1-3-9(2)10-7-5-4-6-8-10;1-3-8(2)9-4-6-10-7-5-9;1-3-7(2)9-6-4-5-8(9)10;1-3-7(2)9-5-4-8-6-9/h4-13H,3H2,1-2H3;2*4-12H,3H2,1-2H3;4-12H,3H2,1-2H3;4-7,10H,3,8-9H2,1-2H3;9-10H,3-8H2,1-2H3;4-5,9-10H,3,6-8H2,1-2H3;4-8H,3H2,1-2H3;7H,3-6H2,1-2H3;4-7H,3H2,1-2H3
• InChIKey: BQRFKRODLSHTPA-UHFFFAOYSA-N
• XLogP: 36.39
• TPSA: 74.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 20
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1830.80
LogP ≤ 5	36.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-butan-2-ylcarbazole;butan-2-ylcyclohexane;4-butan-2-ylcyclohexene;1-butan-2-yl-2,3-dihydroindole;1-butan-2-ylimidazole;10-butan-2-ylphenothiazine;10-butan-2-ylphenoxazine;1-butan-2-ylpyrene;4-butan-2-ylpyridine;1-butan-2-ylpyrrolidin-2-one?

The IUPAC name of 9-butan-2-ylcarbazole;butan-2-ylcyclohexane;4-butan-2-ylcyclohexene;1-butan-2-yl-2,3-dihydroindole;1-butan-2-ylimidazole;10-butan-2-ylphenothiazine;10-butan-2-ylphenoxazine;1-butan-2-ylpyrene;4-butan-2-ylpyridine;1-butan-2-ylpyrrolidin-2-one (CID 157432208) is 9-butan-2-ylcarbazole;butan-2-ylcyclohexane;4-butan-2-ylcyclohexene;1-butan-2-yl-2,3-dihydroindole;1-butan-2-ylimidazole;10-butan-2-ylphenothiazine;10-butan-2-ylphenoxazine;1-butan-2-ylpyrene;4-butan-2-ylpyridine;1-butan-2-ylpyrrolidin-2-one.

What is the SMILES notation for 9-butan-2-ylcarbazole;butan-2-ylcyclohexane;4-butan-2-ylcyclohexene;1-butan-2-yl-2,3-dihydroindole;1-butan-2-ylimidazole;10-butan-2-ylphenothiazine;10-butan-2-ylphenoxazine;1-butan-2-ylpyrene;4-butan-2-ylpyridine;1-butan-2-ylpyrrolidin-2-one?

The canonical SMILES for 9-butan-2-ylcarbazole;butan-2-ylcyclohexane;4-butan-2-ylcyclohexene;1-butan-2-yl-2,3-dihydroindole;1-butan-2-ylimidazole;10-butan-2-ylphenothiazine;10-butan-2-ylphenoxazine;1-butan-2-ylpyrene;4-butan-2-ylpyridine;1-butan-2-ylpyrrolidin-2-one is CCC(C)C1CC=CCC1.CCC(C)C1CCCCC1.CCC(C)N1CCCC1=O.CCC(C)N1CCc2ccccc21.CCC(C)N1c2ccccc2Oc2ccccc21.CCC(C)N1c2ccccc2Sc2ccccc21.CCC(C)c1ccc2ccc3cccc4ccc1c2c34.CCC(C)c1ccncc1.CCC(C)n1c2ccccc2c2ccccc21.CCC(C)n1ccnc1.

What is the InChIKey of 9-butan-2-ylcarbazole;butan-2-ylcyclohexane;4-butan-2-ylcyclohexene;1-butan-2-yl-2,3-dihydroindole;1-butan-2-ylimidazole;10-butan-2-ylphenothiazine;10-butan-2-ylphenoxazine;1-butan-2-ylpyrene;4-butan-2-ylpyridine;1-butan-2-ylpyrrolidin-2-one?

The InChIKey is BQRFKRODLSHTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18.C16H17NO.C16H17NS.C16H17N.C12H17N.C10H20.C10H18.C9H13N.C8H15NO.C7H12N2/c1-3-13(2)17-11-9-16-8-7-14-5-4-6-15-10-12-18(17)20(16)19(14)15;2*1-3-12(2)17-13-8-4-6-10-15(13)18-16-11-7-5-9-14(16)17;1-3-12(2)17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17;1-3-10(2)13-9-8-11-6-4-5-7-12(11)13;2*1-3-9(2)10-7-5-4-6-8-10;1-3-8(2)9-4-6-10-7-5-9;1-3-7(2)9-6-4-5-8(9)10;1-3-7(2)9-5-4-8-6-9/h4-13H,3H2,1-2H3;2*4-12H,3H2,1-2H3;4-12H,3H2,1-2H3;4-7,10H,3,8-9H2,1-2H3;9-10H,3-8H2,1-2H3;4-5,9-10H,3,6-8H2,1-2H3;4-8H,3H2,1-2H3;7H,3-6H2,1-2H3;4-7H,3H2,1-2H3.

What are the key properties of 9-butan-2-ylcarbazole;butan-2-ylcyclohexane;4-butan-2-ylcyclohexene;1-butan-2-yl-2,3-dihydroindole;1-butan-2-ylimidazole;10-butan-2-ylphenothiazine;10-butan-2-ylphenoxazine;1-butan-2-ylpyrene;4-butan-2-ylpyridine;1-butan-2-ylpyrrolidin-2-one?

9-butan-2-ylcarbazole;butan-2-ylcyclohexane;4-butan-2-ylcyclohexene;1-butan-2-yl-2,3-dihydroindole;1-butan-2-ylimidazole;10-butan-2-ylphenothiazine;10-butan-2-ylphenoxazine;1-butan-2-ylpyrene;4-butan-2-ylpyridine;1-butan-2-ylpyrrolidin-2-one has a molecular weight of 1830.80 g/mol, XLogP of 36.39, 20 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 9-butan-2-ylcarbazole;butan-2-ylcyclohexane;4-butan-2-ylcyclohexene;1-butan-2-yl-2,3-dihydroindole;1-butan-2-ylimidazole;10-butan-2-ylphenothiazine;10-butan-2-ylphenoxazine;1-butan-2-ylpyrene;4-butan-2-ylpyridine;1-butan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 157432208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).