1,2-diethylpyrrolidine;2-ethylfuran;1-ethylimidazole;5-ethyl-1H-imidazole;2-ethyloxolane;4-ethylpyridine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;2-methyl-4,5-dihydro-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine

C71H115N13O3 — CID 158829641

About 1,2-diethylpyrrolidine;2-ethylfuran;1-ethylimidazole;5-ethyl-1H-imidazole;2-ethyloxolane;4-ethylpyridine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;2-methyl-4,5-dihydro-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine

1,2-diethylpyrrolidine;2-ethylfuran;1-ethylimidazole;5-ethyl-1H-imidazole;2-ethyloxolane;4-ethylpyridine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;2-methyl-4,5-dihydro-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine (PubChem CID 158829641) has the molecular formula C71H115N13O3 and a molecular weight of 1198.79 g/mol. Its IUPAC name is 1,2-diethylpyrrolidine;2-ethylfuran;1-ethylimidazole;5-ethyl-1H-imidazole;2-ethyloxolane;4-ethylpyridine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;2-methyl-4,5-dihydro-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine.

Molecular Properties

• Compound Name: 1,2-diethylpyrrolidine;2-ethylfuran;1-ethylimidazole;5-ethyl-1H-imidazole;2-ethyloxolane;4-ethylpyridine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;2-methyl-4,5-dihydro-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine
• PubChem CID: 158829641
• Molecular Formula: C71H115N13O3
• Molecular Weight: 1198.79 g/mol
• Exact Mass: 1197.92
• IUPAC Name: 1,2-diethylpyrrolidine;2-ethylfuran;1-ethylimidazole;5-ethyl-1H-imidazole;2-ethyloxolane;4-ethylpyridine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;2-methyl-4,5-dihydro-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine
• SMILES: CC1=NCCN1.CCC1CCCN1CC.CCC1CCCO1.CCN1CCCC1.CCN1CCCC1=O.CCc1ccco1.CCc1ccncc1.CCc1cnc[nH]1.CCn1ccnc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1
• InChI: InChI=1S/C8H17N.C7H9N.C6H11NO.3C6H7N.C6H13N.C6H12O.C6H8O.2C5H8N2.C4H8N2/c1-3-8-6-5-7-9(8)4-2;1-2-7-3-5-8-6-4-7;1-2-7-5-3-4-6(7)8;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-2-7-5-3-4-6-7;2*1-2-6-4-3-5-7-6;1-2-5-3-6-4-7-5;1-2-7-4-3-6-5-7;1-4-5-2-3-6-4/h8H,3-7H2,1-2H3;3-6H,2H2,1H3;2-5H2,1H3;3*2-5H,1H3;2-6H2,1H3;6H,2-5H2,1H3;3-5H,2H2,1H3;3-4H,2H2,1H3,(H,6,7);3-5H,2H2,1H3;2-3H2,1H3,(H,5,6)
• InChIKey: IWWPLPAFISYLJP-UHFFFAOYSA-N
• XLogP: 14.73
• TPSA: 171.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1198.79
LogP ≤ 5	14.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 1,2-diethylpyrrolidine;2-ethylfuran;1-ethylimidazole;5-ethyl-1H-imidazole;2-ethyloxolane;4-ethylpyridine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;2-methyl-4,5-dihydro-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine?

The IUPAC name of 1,2-diethylpyrrolidine;2-ethylfuran;1-ethylimidazole;5-ethyl-1H-imidazole;2-ethyloxolane;4-ethylpyridine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;2-methyl-4,5-dihydro-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine (CID 158829641) is 1,2-diethylpyrrolidine;2-ethylfuran;1-ethylimidazole;5-ethyl-1H-imidazole;2-ethyloxolane;4-ethylpyridine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;2-methyl-4,5-dihydro-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine.

What is the SMILES notation for 1,2-diethylpyrrolidine;2-ethylfuran;1-ethylimidazole;5-ethyl-1H-imidazole;2-ethyloxolane;4-ethylpyridine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;2-methyl-4,5-dihydro-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine?

The canonical SMILES for 1,2-diethylpyrrolidine;2-ethylfuran;1-ethylimidazole;5-ethyl-1H-imidazole;2-ethyloxolane;4-ethylpyridine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;2-methyl-4,5-dihydro-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine is CC1=NCCN1.CCC1CCCN1CC.CCC1CCCO1.CCN1CCCC1.CCN1CCCC1=O.CCc1ccco1.CCc1ccncc1.CCc1cnc[nH]1.CCn1ccnc1.Cc1ccccn1.Cc1cccnc1.Cc1ccncc1.

What is the InChIKey of 1,2-diethylpyrrolidine;2-ethylfuran;1-ethylimidazole;5-ethyl-1H-imidazole;2-ethyloxolane;4-ethylpyridine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;2-methyl-4,5-dihydro-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine?

The InChIKey is IWWPLPAFISYLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C7H9N.C6H11NO.3C6H7N.C6H13N.C6H12O.C6H8O.2C5H8N2.C4H8N2/c1-3-8-6-5-7-9(8)4-2;1-2-7-3-5-8-6-4-7;1-2-7-5-3-4-6(7)8;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-2-7-5-3-4-6-7;2*1-2-6-4-3-5-7-6;1-2-5-3-6-4-7-5;1-2-7-4-3-6-5-7;1-4-5-2-3-6-4/h8H,3-7H2,1-2H3;3-6H,2H2,1H3;2-5H2,1H3;3*2-5H,1H3;2-6H2,1H3;6H,2-5H2,1H3;3-5H,2H2,1H3;3-4H,2H2,1H3,(H,6,7);3-5H,2H2,1H3;2-3H2,1H3,(H,5,6).

What are the key properties of 1,2-diethylpyrrolidine;2-ethylfuran;1-ethylimidazole;5-ethyl-1H-imidazole;2-ethyloxolane;4-ethylpyridine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;2-methyl-4,5-dihydro-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine?

1,2-diethylpyrrolidine;2-ethylfuran;1-ethylimidazole;5-ethyl-1H-imidazole;2-ethyloxolane;4-ethylpyridine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;2-methyl-4,5-dihydro-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine has a molecular weight of 1198.79 g/mol, XLogP of 14.73, 9 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-diethylpyrrolidine;2-ethylfuran;1-ethylimidazole;5-ethyl-1H-imidazole;2-ethyloxolane;4-ethylpyridine;1-ethylpyrrolidine;1-ethylpyrrolidin-2-one;2-methyl-4,5-dihydro-1H-imidazole;2-methylpyridine;3-methylpyridine;4-methylpyridine is sourced from PubChem (CID 158829641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).