4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)

C91H124N10O3 — CID 159532246

About 4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)

4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine) (PubChem CID 159532246) has the molecular formula C91H124N10O3 and a molecular weight of 1406.06 g/mol. Its IUPAC name is 4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine).

Molecular Properties

• Compound Name: 4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)
• PubChem CID: 159532246
• Molecular Formula: C91H124N10O3
• Molecular Weight: 1406.06 g/mol
• Exact Mass: 1404.99
• IUPAC Name: 4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)
• SMILES: C.CC(C)(C)c1ccnc2c1CC(=O)C2.CC(C)(C)c1ccnc2c1CCC(=O)C2.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc2c1C=CC2.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccnnc1.CC(C)c1cnoc1
• InChI: InChI=1S/C13H17NO.C12H15NO.C11H13N.C9H12.4C8H11N.C7H10N2.C6H9NO.CH4/c1-13(2,3)11-6-7-14-12-8-9(15)4-5-10(11)12;1-12(2,3)10-4-5-13-11-7-8(14)6-9(10)11;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-9-5-7;1-5(2)6-3-7-8-4-6;/h6-7H,4-5,8H2,1-3H3;4-5H,6-7H2,1-3H3;3-4,6-8H,5H2,1-2H3;3-8H,1-2H3;4*3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;1H4
• InChIKey: MDDKYMCFBZOARP-UHFFFAOYSA-N
• XLogP: 22.92
• TPSA: 176.18 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1406.06
LogP ≤ 5	22.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)?

The IUPAC name of 4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine) (CID 159532246) is 4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine).

What is the SMILES notation for 4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)?

The canonical SMILES for 4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine) is C.CC(C)(C)c1ccnc2c1CC(=O)C2.CC(C)(C)c1ccnc2c1CCC(=O)C2.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccnc2c1C=CC2.CC(C)c1ccncc1.CC(C)c1ccncc1.CC(C)c1ccnnc1.CC(C)c1cnoc1.

What is the InChIKey of 4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)?

The InChIKey is MDDKYMCFBZOARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C12H15NO.C11H13N.C9H12.4C8H11N.C7H10N2.C6H9NO.CH4/c1-13(2,3)11-6-7-14-12-8-9(15)4-5-10(11)12;1-12(2,3)10-4-5-13-11-7-8(14)6-9(10)11;1-8(2)9-6-7-12-11-5-3-4-10(9)11;1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-4-8-9-5-7;1-5(2)6-3-7-8-4-6;/h6-7H,4-5,8H2,1-3H3;4-5H,6-7H2,1-3H3;3-4,6-8H,5H2,1-2H3;3-8H,1-2H3;4*3-7H,1-2H3;3-6H,1-2H3;3-5H,1-2H3;1H4.

What are the key properties of 4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine)?

4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine) has a molecular weight of 1406.06 g/mol, XLogP of 22.92, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-tert-butyl-5,7-dihydrocyclopenta[b]pyridin-6-one;4-tert-butyl-6,8-dihydro-5H-quinolin-7-one;cumene;methane;4-propan-2-yl-7H-cyclopenta[b]pyridine;4-propan-2-yl-1,2-oxazole;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;bis(4-propan-2-ylpyridine) is sourced from PubChem (CID 159532246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).