1,2-di(propan-2-yl)cyclopenta-1,3-diene;1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)-2H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)-3H-pyrrol-1-ium

C96H167N14O2S+ — CID 158258833

About 1,2-di(propan-2-yl)cyclopenta-1,3-diene;1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)-2H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)-3H-pyrrol-1-ium

1,2-di(propan-2-yl)cyclopenta-1,3-diene;1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)-2H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)-3H-pyrrol-1-ium (PubChem CID 158258833) has the molecular formula C96H167N14O2S+ and a molecular weight of 1581.55 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)cyclopenta-1,3-diene;1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)-2H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)-3H-pyrrol-1-ium.

Molecular Properties

• Compound Name: 1,2-di(propan-2-yl)cyclopenta-1,3-diene;1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)-2H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)-3H-pyrrol-1-ium
• PubChem CID: 158258833
• Molecular Formula: C96H167N14O2S+
• Molecular Weight: 1581.55 g/mol
• Exact Mass: 1580.31
• IUPAC Name: 1,2-di(propan-2-yl)cyclopenta-1,3-diene;1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)-2H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)-3H-pyrrol-1-ium
• SMILES: CC(C)C1=C(C(C)C)CC=C1.CC(C)C1=C(C(C)C)CN=C1.CC(C)C1=[N+](C)C=CC1C(C)C.CC(C)c1cn(C)nc1C(C)C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cnn(C)c1C(C)C.CC(C)c1nccn1C(C)C.CC(C)c1ncoc1C(C)C.CC(C)c1ncsc1C(C)C.CC(C)c1nonc1C(C)C
• InChI: InChI=1S/C11H20N.C11H18.2C10H18N2.C10H17N.2C9H16N2.C9H15NO.C9H15NS.C8H14N2O/c1-8(2)10-6-7-12(5)11(10)9(3)4;1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-6-12(5)11-10(9)8(3)4;1-7(2)9-6-11-12(5)10(9)8(3)4;1-7(2)9-5-11-6-10(9)8(3)4;1-7(2)9-10-5-6-11(9)8(3)4;1-6(2)8-5-10-11-9(8)7(3)4;2*1-6(2)8-9(7(3)4)11-5-10-8;1-5(2)7-8(6(3)4)10-11-9-7/h6-10H,1-5H3;5-6,8-9H,7H2,1-4H3;2*6-8H,1-5H3;5,7-8H,6H2,1-4H3;5-8H,1-4H3;5-7H,1-4H3,(H,10,11);2*5-7H,1-4H3;5-6H,1-4H3/q+1
• InChIKey: MKKWVLNFBZJIQP-UHFFFAOYSA-N
• XLogP: 27.96
• TPSA: 175.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1581.55
LogP ≤ 5	27.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)cyclopenta-1,3-diene;1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)-2H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)-3H-pyrrol-1-ium?

The IUPAC name of 1,2-di(propan-2-yl)cyclopenta-1,3-diene;1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)-2H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)-3H-pyrrol-1-ium (CID 158258833) is 1,2-di(propan-2-yl)cyclopenta-1,3-diene;1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)-2H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)-3H-pyrrol-1-ium.

What is the SMILES notation for 1,2-di(propan-2-yl)cyclopenta-1,3-diene;1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)-2H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)-3H-pyrrol-1-ium?

The canonical SMILES for 1,2-di(propan-2-yl)cyclopenta-1,3-diene;1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)-2H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)-3H-pyrrol-1-ium is CC(C)C1=C(C(C)C)CC=C1.CC(C)C1=C(C(C)C)CN=C1.CC(C)C1=[N+](C)C=CC1C(C)C.CC(C)c1cn(C)nc1C(C)C.CC(C)c1cn[nH]c1C(C)C.CC(C)c1cnn(C)c1C(C)C.CC(C)c1nccn1C(C)C.CC(C)c1ncoc1C(C)C.CC(C)c1ncsc1C(C)C.CC(C)c1nonc1C(C)C.

What is the InChIKey of 1,2-di(propan-2-yl)cyclopenta-1,3-diene;1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)-2H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)-3H-pyrrol-1-ium?

The InChIKey is MKKWVLNFBZJIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N.C11H18.2C10H18N2.C10H17N.2C9H16N2.C9H15NO.C9H15NS.C8H14N2O/c1-8(2)10-6-7-12(5)11(10)9(3)4;1-8(2)10-6-5-7-11(10)9(3)4;1-7(2)9-6-12(5)11-10(9)8(3)4;1-7(2)9-6-11-12(5)10(9)8(3)4;1-7(2)9-5-11-6-10(9)8(3)4;1-7(2)9-10-5-6-11(9)8(3)4;1-6(2)8-5-10-11-9(8)7(3)4;2*1-6(2)8-9(7(3)4)11-5-10-8;1-5(2)7-8(6(3)4)10-11-9-7/h6-10H,1-5H3;5-6,8-9H,7H2,1-4H3;2*6-8H,1-5H3;5,7-8H,6H2,1-4H3;5-8H,1-4H3;5-7H,1-4H3,(H,10,11);2*5-7H,1-4H3;5-6H,1-4H3/q+1;;;;;;;;;.

What are the key properties of 1,2-di(propan-2-yl)cyclopenta-1,3-diene;1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)-2H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)-3H-pyrrol-1-ium?

1,2-di(propan-2-yl)cyclopenta-1,3-diene;1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)-2H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)-3H-pyrrol-1-ium has a molecular weight of 1581.55 g/mol, XLogP of 27.96, 20 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-di(propan-2-yl)cyclopenta-1,3-diene;1,2-di(propan-2-yl)imidazole;3,4-di(propan-2-yl)-1,2,5-oxadiazole;4,5-di(propan-2-yl)-1,3-oxazole;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)-2H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;1-methyl-3,4-di(propan-2-yl)pyrazole;1-methyl-4,5-di(propan-2-yl)pyrazole;1-methyl-2,3-di(propan-2-yl)-3H-pyrrol-1-ium is sourced from PubChem (CID 158258833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).