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

C61H90F9N7 — CID 159046232

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

2-cyclopentyl-1,5-dimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1,2-dimethyl-5-(trifluoromethyl)pyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,2,5-trimethylpyrrole (PubChem CID 159046232) has the molecular formula C61H90F9N7 and a molecular weight of 1092.42 g/mol. Its IUPAC name is 2-cyclopentyl-1,5-dimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1,2-dimethyl-5-(trifluoromethyl)pyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,2,5-trimethylpyrrole.

Molecular Properties

• Compound Name: 2-cyclopentyl-1,5-dimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1,2-dimethyl-5-(trifluoromethyl)pyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,2,5-trimethylpyrrole
• PubChem CID: 159046232
• Molecular Formula: C61H90F9N7
• Molecular Weight: 1092.42 g/mol
• Exact Mass: 1091.71
• IUPAC Name: 2-cyclopentyl-1,5-dimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1,2-dimethyl-5-(trifluoromethyl)pyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;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(F)(F)F)n1C.Cc1ccc(C)n1C.Cc1ccc(C2CCCC2)n1C.Cn1c(C(F)(F)F)ccc1C(F)(F)F
• InChI: InChI=1S/C11H17N.C11H19N.2C9H15N.C7H5F6N.C7H8F3N.C7H11N/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)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;1-5-3-4-6(11(5)2)7(8,9)10;1-6-4-5-7(2)8(6)3/h7-8,10H,3-6H2,1-2H3;6-9H,1-5H3;5-7H,1-4H3;1-5H3;2-3H,1H3;3-4H,1-2H3;4-5H,1-3H3
• InChIKey: JWROURSFDCHHFR-UHFFFAOYSA-N
• XLogP: 18.04
• TPSA: 34.51 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1092.42
LogP ≤ 5	18.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-cyclopentyl-1,5-dimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1,2-dimethyl-5-(trifluoromethyl)pyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,2,5-trimethylpyrrole (CID 159046232) is 2-cyclopentyl-1,5-dimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1,2-dimethyl-5-(trifluoromethyl)pyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,2,5-trimethylpyrrole.

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

The canonical SMILES for 2-cyclopentyl-1,5-dimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1,2-dimethyl-5-(trifluoromethyl)pyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;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(F)(F)F)n1C.Cc1ccc(C)n1C.Cc1ccc(C2CCCC2)n1C.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;1,2-dimethyl-5-(trifluoromethyl)pyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,2,5-trimethylpyrrole?

The InChIKey is JWROURSFDCHHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C11H19N.2C9H15N.C7H5F6N.C7H8F3N.C7H11N/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)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;1-5-3-4-6(11(5)2)7(8,9)10;1-6-4-5-7(2)8(6)3/h7-8,10H,3-6H2,1-2H3;6-9H,1-5H3;5-7H,1-4H3;1-5H3;2-3H,1H3;3-4H,1-2H3;4-5H,1-3H3.

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

2-cyclopentyl-1,5-dimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1,2-dimethyl-5-(trifluoromethyl)pyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,2,5-trimethylpyrrole has a molecular weight of 1092.42 g/mol, XLogP of 18.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-1,5-dimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1,2-dimethyl-5-(trifluoromethyl)pyrrole;1-methyl-2,5-bis(trifluoromethyl)pyrrole;1-methyl-2,5-di(propan-2-yl)pyrrole;1,2,3,4,5-pentamethylpyrrole;1,2,5-trimethylpyrrole is sourced from PubChem (CID 159046232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).