1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole

C169H271FN26O3S — CID 157106362

About 1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole

1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole (PubChem CID 157106362) has the molecular formula C169H271FN26O3S and a molecular weight of 2766.27 g/mol. Its IUPAC name is 1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole.

Molecular Properties

• Compound Name: 1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole
• PubChem CID: 157106362
• Molecular Formula: C169H271FN26O3S
• Molecular Weight: 2766.27 g/mol
• Exact Mass: 2764.16
• IUPAC Name: 1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole
• SMILES: C=S1(=O)CCN(C(C)(C)C)CC1.CC(C)(C)c1ccccn1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncco1.CC(C)(C)n1cccc1.CC(C)(C)n1cccc1C1CC1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CCc1cccn1C(C)(C)C.COc1ncc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1cccn1C(C)(C)C.Cc1cnc(C(C)(C)C)n1C.Cc1ncc(C(C)(C)C)cn1.Cn1cccc1C(C)(C)C.Cn1ccnc1C(C)(C)C.[C-]#[N+]c1cccn1C(C)(C)C
• InChI: InChI=1S/C11H17N.3C10H15N.C10H17N.C9H12FN.C9H14N2O.C9H14N2.C9H16N2.C9H12N2.C9H19NOS.2C9H15N.C9H13N.C8H14N2.C8H13N.2C7H12N2.C7H11NO/c1-11(2,3)12-8-4-5-10(12)9-6-7-9;1-8-5-6-9(7-11-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-5-9-7-6-8-11(9)10(2,3)4;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)7-5-10-8(12-4)11-6-7;1-7-10-5-8(6-11-7)9(2,3)4;1-7-6-10-8(11(7)5)9(2,3)4;1-9(2,3)11-7-5-6-8(11)10-4;1-9(2,3)10-5-7-12(4,11)8-6-10;1-9(2,3)8-6-5-7-10(8)4;1-8-6-5-7-10(8)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6/h4-5,8-9H,6-7H2,1-3H3;3*5-7H,1-4H3;6-8H,5H2,1-4H3;4-6H,1-3H3;5-6H,1-4H3;5-6H,1-4H3;6H,1-5H3;5-7H,1-3H3;4-8H2,1-3H3;2*5-7H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3
• InChIKey: AGIOXKJFECNVBZ-UHFFFAOYSA-N
• XLogP: 42.47
• TPSA: 276.80 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 3
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2766.27
LogP ≤ 5	42.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole?

The IUPAC name of 1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole (CID 157106362) is 1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole.

What is the SMILES notation for 1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole?

The canonical SMILES for 1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole is C=S1(=O)CCN(C(C)(C)C)CC1.CC(C)(C)c1ccccn1.CC(C)(C)c1ncccc1F.CC(C)(C)c1ncco1.CC(C)(C)n1cccc1.CC(C)(C)n1cccc1C1CC1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CCc1cccn1C(C)(C)C.COc1ncc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)cn1.Cc1ccc(C(C)(C)C)nc1.Cc1cccc(C(C)(C)C)n1.Cc1cccn1C(C)(C)C.Cc1cnc(C(C)(C)C)n1C.Cc1ncc(C(C)(C)C)cn1.Cn1cccc1C(C)(C)C.Cn1ccnc1C(C)(C)C.[C-]#[N+]c1cccn1C(C)(C)C.

What is the InChIKey of 1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole?

The InChIKey is AGIOXKJFECNVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.3C10H15N.C10H17N.C9H12FN.C9H14N2O.C9H14N2.C9H16N2.C9H12N2.C9H19NOS.2C9H15N.C9H13N.C8H14N2.C8H13N.2C7H12N2.C7H11NO/c1-11(2,3)12-8-4-5-10(12)9-6-7-9;1-8-5-6-9(7-11-8)10(2,3)4;1-8-5-6-9(11-7-8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-5-9-7-6-8-11(9)10(2,3)4;1-9(2,3)8-7(10)5-4-6-11-8;1-9(2,3)7-5-10-8(12-4)11-6-7;1-7-10-5-8(6-11-7)9(2,3)4;1-7-6-10-8(11(7)5)9(2,3)4;1-9(2,3)11-7-5-6-8(11)10-4;1-9(2,3)10-5-7-12(4,11)8-6-10;1-9(2,3)8-6-5-7-10(8)4;1-8-6-5-7-10(8)9(2,3)4;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6/h4-5,8-9H,6-7H2,1-3H3;3*5-7H,1-4H3;6-8H,5H2,1-4H3;4-6H,1-3H3;5-6H,1-4H3;5-6H,1-4H3;6H,1-5H3;5-7H,1-3H3;4-8H2,1-3H3;2*5-7H,1-4H3;4-7H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3.

What are the key properties of 1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole?

1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole has a molecular weight of 2766.27 g/mol, XLogP of 42.47, 3 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-2-cyclopropylpyrrole;2-tert-butyl-1,5-dimethylimidazole;1-tert-butyl-2-ethylpyrrole;2-tert-butyl-3-fluoropyridine;1-tert-butylimidazole;1-tert-butyl-2-isocyanopyrrole;5-tert-butyl-2-methoxypyrimidine;4-tert-butyl-1-methylidene-1,4-thiazinane 1-oxide;2-tert-butyl-1-methylimidazole;2-tert-butyl-5-methylpyridine;2-tert-butyl-6-methylpyridine;5-tert-butyl-2-methylpyridine;5-tert-butyl-2-methylpyrimidine;1-tert-butyl-2-methylpyrrole;2-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;2-tert-butylpyridine;1-tert-butylpyrrole is sourced from PubChem (CID 157106362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).