1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;methane

C157H265N29O4 — CID 157106927

About 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;methane

1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;methane (PubChem CID 157106927) has the molecular formula C157H265N29O4 and a molecular weight of 2623.05 g/mol. Its IUPAC name is 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;methane.

Molecular Properties

• Compound Name: 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;methane
• PubChem CID: 157106927
• Molecular Formula: C157H265N29O4
• Molecular Weight: 2623.05 g/mol
• Exact Mass: 2621.14
• IUPAC Name: 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;methane
• SMILES: C.CC(C)(C)C1=CC=CC1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=CCN=N1.CC(C)(C)C1=CN=CC1.CC(C)(C)C1=NC=CC1.CC(C)(C)C1=NCC=N1.CC(C)(C)C1=NCCC1.CC(C)(C)C1=NN=CC1.CC(C)(C)C1CN=CN1.CC(C)(C)c1ccco1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncno1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1cncn1
• InChI: InChI=1S/2C9H14.2C8H13N.C8H15N.3C8H13N.C8H12O.C7H14N2.7C7H12N2.2C7H11NO.C6H11N3.C6H10N2O.CH4/c2*1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-4-5-9-6-7;5*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-5-4-8-6-9;2*1-7(2,3)6-8-4-5-9-6;1-7(2,3)9-6-4-5-8-9;3*1-7(2,3)6-4-5-8-9-6;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-7-4-8-9;1-6(2,3)5-7-4-8-9-5;/h4,6-7H,5H2,1-3H3;4-6H,7H2,1-3H3;5-6H,4H2,1-3H3;4,6H,5H2,1-3H3;4-6H2,1-3H3;2*5-6H,4H2,1-3H3;4,6H,5H2,1-3H3;4-6H,1-3H3;5-6H,4H2,1-3H3,(H,8,9);4-6H,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3,(H,8,9);4-6H,1-3H3;5H,4H2,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;4H,1-3H3;1H4
• InChIKey: AGKDHNFLDWMJHD-UHFFFAOYSA-N
• XLogP: 42.75
• TPSA: 400.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2623.05
LogP ≤ 5	42.75
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;methane?

The IUPAC name of 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;methane (CID 157106927) is 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;methane.

What is the SMILES notation for 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;methane?

The canonical SMILES for 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;methane is C.CC(C)(C)C1=CC=CC1.CC(C)(C)C1=CCC=C1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCC=N1.CC(C)(C)C1=CCN=C1.CC(C)(C)C1=CCN=N1.CC(C)(C)C1=CN=CC1.CC(C)(C)C1=NC=CC1.CC(C)(C)C1=NCC=N1.CC(C)(C)C1=NCCC1.CC(C)(C)C1=NN=CC1.CC(C)(C)C1CN=CN1.CC(C)(C)c1ccco1.CC(C)(C)c1ccn[nH]1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncco1.CC(C)(C)c1ncno1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1cncn1.

What is the InChIKey of 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;methane?

The InChIKey is AGKDHNFLDWMJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H14.2C8H13N.C8H15N.3C8H13N.C8H12O.C7H14N2.7C7H12N2.2C7H11NO.C6H11N3.C6H10N2O.CH4/c2*1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-4-5-9-6-7;5*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-5-4-8-6-9;2*1-7(2,3)6-8-4-5-9-6;1-7(2,3)9-6-4-5-8-9;3*1-7(2,3)6-4-5-8-9-6;2*1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-7-4-8-9;1-6(2,3)5-7-4-8-9-5;/h4,6-7H,5H2,1-3H3;4-6H,7H2,1-3H3;5-6H,4H2,1-3H3;4,6H,5H2,1-3H3;4-6H2,1-3H3;2*5-6H,4H2,1-3H3;4,6H,5H2,1-3H3;4-6H,1-3H3;5-6H,4H2,1-3H3,(H,8,9);4-6H,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3,(H,8,9);4-6H,1-3H3;5H,4H2,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;4H,1-3H3;1H4.

What are the key properties of 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;methane?

1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;methane has a molecular weight of 2623.05 g/mol, XLogP of 42.75, 0 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butylcyclopenta-1,3-diene;2-tert-butylcyclopenta-1,3-diene;5-tert-butyl-4,5-dihydro-1H-imidazole;5-tert-butyl-3,4-dihydro-2H-pyrrole;2-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;5-tert-butyl-1,2,4-oxadiazole;bis(2-tert-butyl-1,3-oxazole);1-tert-butylpyrazole;3-tert-butyl-4H-pyrazole;5-tert-butyl-1H-pyrazole;5-tert-butyl-3H-pyrazole;2-tert-butyl-3H-pyrrole;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;bis(5-tert-butyl-3H-pyrrole);1-tert-butyl-1,2,4-triazole;methane is sourced from PubChem (CID 157106927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).