3-tert-butylcyclopentene;2-tert-butyl-1H-imidazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;2-tert-butyltriazole;5-tert-butyl-3H-1,2,4-triazole

C81H139N17O2 — CID 163516110

About 3-tert-butylcyclopentene;2-tert-butyl-1H-imidazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;2-tert-butyltriazole;5-tert-butyl-3H-1,2,4-triazole

3-tert-butylcyclopentene;2-tert-butyl-1H-imidazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;2-tert-butyltriazole;5-tert-butyl-3H-1,2,4-triazole (PubChem CID 163516110) has the molecular formula C81H139N17O2 and a molecular weight of 1383.12 g/mol. Its IUPAC name is 3-tert-butylcyclopentene;2-tert-butyl-1H-imidazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;2-tert-butyltriazole;5-tert-butyl-3H-1,2,4-triazole.

Molecular Properties

• Compound Name: 3-tert-butylcyclopentene;2-tert-butyl-1H-imidazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;2-tert-butyltriazole;5-tert-butyl-3H-1,2,4-triazole
• PubChem CID: 163516110
• Molecular Formula: C81H139N17O2
• Molecular Weight: 1383.12 g/mol
• Exact Mass: 1382.13
• IUPAC Name: 3-tert-butylcyclopentene;2-tert-butyl-1H-imidazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;2-tert-butyltriazole;5-tert-butyl-3H-1,2,4-triazole
• SMILES: CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=NCN=N1.CC(C)(C)C1C=CCC1.CC(C)(C)N1CCCC1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)n1cccn1.CC(C)(C)n1nccn1
• InChI: InChI=1S/C9H16.C8H12N2.C8H13N.C8H17N.C8H13N.2C7H12N2.2C7H11NO.2C6H11N3/c1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-4-5-9-6;1-7(2,3)9-6-4-5-8-9;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)9-7-4-5-8-9/h4,6,8H,5,7H2,1-3H3;4-6H,1-3H3;4,6H,5H2,1-3H3;4-7H2,1-3H3;5-6H,4H2,1-3H3;4-5H,1-3H3,(H,8,9);4-6H,1-3H3;2*4-5H,1-3H3;4H2,1-3H3;4-5H,1-3H3
• InChIKey: DGWYNXHNIDSOFW-UHFFFAOYSA-N
• XLogP: 21.26
• TPSA: 220.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1383.12
LogP ≤ 5	21.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylcyclopentene;2-tert-butyl-1H-imidazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;2-tert-butyltriazole;5-tert-butyl-3H-1,2,4-triazole?

The IUPAC name of 3-tert-butylcyclopentene;2-tert-butyl-1H-imidazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;2-tert-butyltriazole;5-tert-butyl-3H-1,2,4-triazole (CID 163516110) is 3-tert-butylcyclopentene;2-tert-butyl-1H-imidazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;2-tert-butyltriazole;5-tert-butyl-3H-1,2,4-triazole.

What is the SMILES notation for 3-tert-butylcyclopentene;2-tert-butyl-1H-imidazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;2-tert-butyltriazole;5-tert-butyl-3H-1,2,4-triazole?

The canonical SMILES for 3-tert-butylcyclopentene;2-tert-butyl-1H-imidazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;2-tert-butyltriazole;5-tert-butyl-3H-1,2,4-triazole is CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=NCN=N1.CC(C)(C)C1C=CCC1.CC(C)(C)N1CCCC1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncccn1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)n1cccn1.CC(C)(C)n1nccn1.

What is the InChIKey of 3-tert-butylcyclopentene;2-tert-butyl-1H-imidazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;2-tert-butyltriazole;5-tert-butyl-3H-1,2,4-triazole?

The InChIKey is DGWYNXHNIDSOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16.C8H12N2.C8H13N.C8H17N.C8H13N.2C7H12N2.2C7H11NO.2C6H11N3/c1-9(2,3)8-6-4-5-7-8;1-8(2,3)7-9-5-4-6-10-7;1-8(2,3)7-4-5-9-6-7;1-8(2,3)9-6-4-5-7-9;1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-8-4-5-9-6;1-7(2,3)9-6-4-5-8-9;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)5-7-4-8-9-5;1-6(2,3)9-7-4-5-8-9/h4,6,8H,5,7H2,1-3H3;4-6H,1-3H3;4,6H,5H2,1-3H3;4-7H2,1-3H3;5-6H,4H2,1-3H3;4-5H,1-3H3,(H,8,9);4-6H,1-3H3;2*4-5H,1-3H3;4H2,1-3H3;4-5H,1-3H3.

What are the key properties of 3-tert-butylcyclopentene;2-tert-butyl-1H-imidazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;2-tert-butyltriazole;5-tert-butyl-3H-1,2,4-triazole?

3-tert-butylcyclopentene;2-tert-butyl-1H-imidazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;2-tert-butyltriazole;5-tert-butyl-3H-1,2,4-triazole has a molecular weight of 1383.12 g/mol, XLogP of 21.26, 0 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butylcyclopentene;2-tert-butyl-1H-imidazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;2-tert-butylpyrimidine;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butylpyrrolidine;2-tert-butyltriazole;5-tert-butyl-3H-1,2,4-triazole is sourced from PubChem (CID 163516110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).