2-cyclopentyl-1,5-dimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,3,4-trimethyl-2-propan-2-ylpyrrole;bis(1,2,5-trimethylpyrrole)

C71H110F6N8 — CID 157244920

About 2-cyclopentyl-1,5-dimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,3,4-trimethyl-2-propan-2-ylpyrrole;bis(1,2,5-trimethylpyrrole)

2-cyclopentyl-1,5-dimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,3,4-trimethyl-2-propan-2-ylpyrrole;bis(1,2,5-trimethylpyrrole) (PubChem CID 157244920) has the molecular formula C71H110F6N8 and a molecular weight of 1189.70 g/mol. Its IUPAC name is 2-cyclopentyl-1,5-dimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,3,4-trimethyl-2-propan-2-ylpyrrole;bis(1,2,5-trimethylpyrrole).

Molecular Properties

• Compound Name: 2-cyclopentyl-1,5-dimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,3,4-trimethyl-2-propan-2-ylpyrrole;bis(1,2,5-trimethylpyrrole)
• PubChem CID: 157244920
• Molecular Formula: C71H110F6N8
• Molecular Weight: 1189.70 g/mol
• Exact Mass: 1188.88
• IUPAC Name: 2-cyclopentyl-1,5-dimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,3,4-trimethyl-2-propan-2-ylpyrrole;bis(1,2,5-trimethylpyrrole)
• SMILES: CC(C)c1ccc(C(C)C)n1C.Cc1c(C)c(C)n(C)c1C.Cc1ccc(C(C)C)n1C.Cc1ccc(C)n1C.Cc1ccc(C)n1C.Cc1ccc(C2CCCC2)n1C.Cc1cn(C)c(C(C)C)c1C.Cn1c(C(F)(F)F)ccc1C(F)(F)F
• InChI: InChI=1S/C11H17N.C11H19N.C10H17N.2C9H15N.C7H5F6N.2C7H11N/c1-9-7-8-11(12(9)2)10-5-3-4-6-10;1-8(2)10-6-7-11(9(3)4)12(10)5;1-7(2)10-9(4)8(3)6-11(10)5;1-7(2)9-6-5-8(3)10(9)4;1-6-7(2)9(4)10(5)8(6)3;1-14-4(6(8,9)10)2-3-5(14)7(11,12)13;2*1-6-4-5-7(2)8(6)3/h7-8,10H,3-6H2,1-2H3;6-9H,1-5H3;6-7H,1-5H3;5-7H,1-4H3;1-5H3;2-3H,1H3;2*4-5H,1-3H3
• InChIKey: AVQLCTVKLYHCJO-UHFFFAOYSA-N
• XLogP: 20.09
• TPSA: 39.44 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1189.70
LogP ≤ 5	20.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1,5-dimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,3,4-trimethyl-2-propan-2-ylpyrrole;bis(1,2,5-trimethylpyrrole)?

The IUPAC name of 2-cyclopentyl-1,5-dimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,3,4-trimethyl-2-propan-2-ylpyrrole;bis(1,2,5-trimethylpyrrole) (CID 157244920) is 2-cyclopentyl-1,5-dimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,3,4-trimethyl-2-propan-2-ylpyrrole;bis(1,2,5-trimethylpyrrole).

What is the SMILES notation for 2-cyclopentyl-1,5-dimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,3,4-trimethyl-2-propan-2-ylpyrrole;bis(1,2,5-trimethylpyrrole)?

The canonical SMILES for 2-cyclopentyl-1,5-dimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,3,4-trimethyl-2-propan-2-ylpyrrole;bis(1,2,5-trimethylpyrrole) is CC(C)c1ccc(C(C)C)n1C.Cc1c(C)c(C)n(C)c1C.Cc1ccc(C(C)C)n1C.Cc1ccc(C)n1C.Cc1ccc(C)n1C.Cc1ccc(C2CCCC2)n1C.Cc1cn(C)c(C(C)C)c1C.Cn1c(C(F)(F)F)ccc1C(F)(F)F.

What is the InChIKey of 2-cyclopentyl-1,5-dimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,3,4-trimethyl-2-propan-2-ylpyrrole;bis(1,2,5-trimethylpyrrole)?

The InChIKey is AVQLCTVKLYHCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C11H19N.C10H17N.2C9H15N.C7H5F6N.2C7H11N/c1-9-7-8-11(12(9)2)10-5-3-4-6-10;1-8(2)10-6-7-11(9(3)4)12(10)5;1-7(2)10-9(4)8(3)6-11(10)5;1-7(2)9-6-5-8(3)10(9)4;1-6-7(2)9(4)10(5)8(6)3;1-14-4(6(8,9)10)2-3-5(14)7(11,12)13;2*1-6-4-5-7(2)8(6)3/h7-8,10H,3-6H2,1-2H3;6-9H,1-5H3;6-7H,1-5H3;5-7H,1-4H3;1-5H3;2-3H,1H3;2*4-5H,1-3H3.

What are the key properties of 2-cyclopentyl-1,5-dimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,3,4-trimethyl-2-propan-2-ylpyrrole;bis(1,2,5-trimethylpyrrole)?

2-cyclopentyl-1,5-dimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,3,4-trimethyl-2-propan-2-ylpyrrole;bis(1,2,5-trimethylpyrrole) has a molecular weight of 1189.70 g/mol, XLogP of 20.09, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-1,5-dimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,3,4-trimethyl-2-propan-2-ylpyrrole;bis(1,2,5-trimethylpyrrole) is sourced from PubChem (CID 157244920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).