cumene;ethane;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrolidin-2-one

C60H109N5O2 — CID 159188191

About cumene;ethane;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrolidin-2-one

cumene;ethane;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrolidin-2-one (PubChem CID 159188191) has the molecular formula C60H109N5O2 and a molecular weight of 932.56 g/mol. Its IUPAC name is cumene;ethane;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

• Compound Name: cumene;ethane;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrolidin-2-one
• PubChem CID: 159188191
• Molecular Formula: C60H109N5O2
• Molecular Weight: 932.56 g/mol
• Exact Mass: 931.86
• IUPAC Name: cumene;ethane;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrolidin-2-one
• SMILES: CC.CC.CC.CC.CC.CC.CC(C)N1CCCC1=O.CC(C)N1CCCCC1=O.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1
• InChI: InChI=1S/C9H12.C8H15NO.3C8H11N.C7H13NO.6C2H6/c1-8(2)9-6-4-3-5-7-9;1-7(2)9-6-4-3-5-8(9)10;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)8-5-3-4-7(8)9;6*1-2/h3-8H,1-2H3;7H,3-6H2,1-2H3;3*3-7H,1-2H3;6H,3-5H2,1-2H3;6*1-2H3
• InChIKey: KNTGKAXPFIMAOL-UHFFFAOYSA-N
• XLogP: 18.01
• TPSA: 79.29 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	932.56
LogP ≤ 5	18.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cumene;ethane;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrolidin-2-one?

The IUPAC name of cumene;ethane;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrolidin-2-one (CID 159188191) is cumene;ethane;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrolidin-2-one.

What is the SMILES notation for cumene;ethane;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrolidin-2-one?

The canonical SMILES for cumene;ethane;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrolidin-2-one is CC.CC.CC.CC.CC.CC.CC(C)N1CCCC1=O.CC(C)N1CCCCC1=O.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.

What is the InChIKey of cumene;ethane;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrolidin-2-one?

The InChIKey is KNTGKAXPFIMAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H15NO.3C8H11N.C7H13NO.6C2H6/c1-8(2)9-6-4-3-5-7-9;1-7(2)9-6-4-3-5-8(9)10;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)8-5-3-4-7(8)9;6*1-2/h3-8H,1-2H3;7H,3-6H2,1-2H3;3*3-7H,1-2H3;6H,3-5H2,1-2H3;6*1-2H3.

What are the key properties of cumene;ethane;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrolidin-2-one?

cumene;ethane;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrolidin-2-one has a molecular weight of 932.56 g/mol, XLogP of 18.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cumene;ethane;1-propan-2-ylpiperidin-2-one;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 159188191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).