2-cyclopentyl-1,5-dimethylpyrrole;3-cyclopentyl-1,2,5-trimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1,2-dimethyl-5-(trifluoromethyl)pyrrole;3-fluoro-1,2-dimethylpyrrole;3-fluoro-1,2,5-trimethylpyrrole;1,2,3,5-tetramethylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole;1,2,3-trimethylpyrrole

C77H118F5N9 — CID 159929163

About 2-cyclopentyl-1,5-dimethylpyrrole;3-cyclopentyl-1,2,5-trimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1,2-dimethyl-5-(trifluoromethyl)pyrrole;3-fluoro-1,2-dimethylpyrrole;3-fluoro-1,2,5-trimethylpyrrole;1,2,3,5-tetramethylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole;1,2,3-trimethylpyrrole

2-cyclopentyl-1,5-dimethylpyrrole;3-cyclopentyl-1,2,5-trimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1,2-dimethyl-5-(trifluoromethyl)pyrrole;3-fluoro-1,2-dimethylpyrrole;3-fluoro-1,2,5-trimethylpyrrole;1,2,3,5-tetramethylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole;1,2,3-trimethylpyrrole (PubChem CID 159929163) has the molecular formula C77H118F5N9 and a molecular weight of 1264.84 g/mol. Its IUPAC name is 2-cyclopentyl-1,5-dimethylpyrrole;3-cyclopentyl-1,2,5-trimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1,2-dimethyl-5-(trifluoromethyl)pyrrole;3-fluoro-1,2-dimethylpyrrole;3-fluoro-1,2,5-trimethylpyrrole;1,2,3,5-tetramethylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole;1,2,3-trimethylpyrrole.

Molecular Properties

• Compound Name: 2-cyclopentyl-1,5-dimethylpyrrole;3-cyclopentyl-1,2,5-trimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1,2-dimethyl-5-(trifluoromethyl)pyrrole;3-fluoro-1,2-dimethylpyrrole;3-fluoro-1,2,5-trimethylpyrrole;1,2,3,5-tetramethylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole;1,2,3-trimethylpyrrole
• PubChem CID: 159929163
• Molecular Formula: C77H118F5N9
• Molecular Weight: 1264.84 g/mol
• Exact Mass: 1263.94
• IUPAC Name: 2-cyclopentyl-1,5-dimethylpyrrole;3-cyclopentyl-1,2,5-trimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1,2-dimethyl-5-(trifluoromethyl)pyrrole;3-fluoro-1,2-dimethylpyrrole;3-fluoro-1,2,5-trimethylpyrrole;1,2,3,5-tetramethylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole;1,2,3-trimethylpyrrole
• SMILES: Cc1c(F)ccn1C.Cc1cc(C(C)C)c(C)n1C.Cc1cc(C)n(C)c1C.Cc1cc(C2CCCC2)c(C)n1C.Cc1cc(F)c(C)n1C.Cc1ccc(C(C)C)n1C.Cc1ccc(C(F)(F)F)n1C.Cc1ccc(C2CCCC2)n1C.Cc1ccn(C)c1C
• InChI: InChI=1S/C12H19N.C11H17N.C10H17N.C9H15N.C8H13N.C7H8F3N.C7H10FN.C7H11N.C6H8FN/c1-9-8-12(10(2)13(9)3)11-6-4-5-7-11;1-9-7-8-11(12(9)2)10-5-3-4-6-10;1-7(2)10-6-8(3)11(5)9(10)4;1-7(2)9-6-5-8(3)10(9)4;1-6-5-7(2)9(4)8(6)3;1-5-3-4-6(11(5)2)7(8,9)10;1-5-4-7(8)6(2)9(5)3;1-6-4-5-8(3)7(6)2;1-5-6(7)3-4-8(5)2/h8,11H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;6-7H,1-5H3;5-7H,1-4H3;5H,1-4H3;3-4H,1-2H3;4H,1-3H3;4-5H,1-3H3;3-4H,1-2H3
• InChIKey: NZKKQUCNTMHUAG-UHFFFAOYSA-N
• XLogP: 20.71
• TPSA: 44.37 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1264.84
LogP ≤ 5	20.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1,5-dimethylpyrrole;3-cyclopentyl-1,2,5-trimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1,2-dimethyl-5-(trifluoromethyl)pyrrole;3-fluoro-1,2-dimethylpyrrole;3-fluoro-1,2,5-trimethylpyrrole;1,2,3,5-tetramethylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole;1,2,3-trimethylpyrrole?

The IUPAC name of 2-cyclopentyl-1,5-dimethylpyrrole;3-cyclopentyl-1,2,5-trimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1,2-dimethyl-5-(trifluoromethyl)pyrrole;3-fluoro-1,2-dimethylpyrrole;3-fluoro-1,2,5-trimethylpyrrole;1,2,3,5-tetramethylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole;1,2,3-trimethylpyrrole (CID 159929163) is 2-cyclopentyl-1,5-dimethylpyrrole;3-cyclopentyl-1,2,5-trimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1,2-dimethyl-5-(trifluoromethyl)pyrrole;3-fluoro-1,2-dimethylpyrrole;3-fluoro-1,2,5-trimethylpyrrole;1,2,3,5-tetramethylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole;1,2,3-trimethylpyrrole.

What is the SMILES notation for 2-cyclopentyl-1,5-dimethylpyrrole;3-cyclopentyl-1,2,5-trimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1,2-dimethyl-5-(trifluoromethyl)pyrrole;3-fluoro-1,2-dimethylpyrrole;3-fluoro-1,2,5-trimethylpyrrole;1,2,3,5-tetramethylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole;1,2,3-trimethylpyrrole?

The canonical SMILES for 2-cyclopentyl-1,5-dimethylpyrrole;3-cyclopentyl-1,2,5-trimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1,2-dimethyl-5-(trifluoromethyl)pyrrole;3-fluoro-1,2-dimethylpyrrole;3-fluoro-1,2,5-trimethylpyrrole;1,2,3,5-tetramethylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole;1,2,3-trimethylpyrrole is Cc1c(F)ccn1C.Cc1cc(C(C)C)c(C)n1C.Cc1cc(C)n(C)c1C.Cc1cc(C2CCCC2)c(C)n1C.Cc1cc(F)c(C)n1C.Cc1ccc(C(C)C)n1C.Cc1ccc(C(F)(F)F)n1C.Cc1ccc(C2CCCC2)n1C.Cc1ccn(C)c1C.

What is the InChIKey of 2-cyclopentyl-1,5-dimethylpyrrole;3-cyclopentyl-1,2,5-trimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1,2-dimethyl-5-(trifluoromethyl)pyrrole;3-fluoro-1,2-dimethylpyrrole;3-fluoro-1,2,5-trimethylpyrrole;1,2,3,5-tetramethylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole;1,2,3-trimethylpyrrole?

The InChIKey is NZKKQUCNTMHUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N.C11H17N.C10H17N.C9H15N.C8H13N.C7H8F3N.C7H10FN.C7H11N.C6H8FN/c1-9-8-12(10(2)13(9)3)11-6-4-5-7-11;1-9-7-8-11(12(9)2)10-5-3-4-6-10;1-7(2)10-6-8(3)11(5)9(10)4;1-7(2)9-6-5-8(3)10(9)4;1-6-5-7(2)9(4)8(6)3;1-5-3-4-6(11(5)2)7(8,9)10;1-5-4-7(8)6(2)9(5)3;1-6-4-5-8(3)7(6)2;1-5-6(7)3-4-8(5)2/h8,11H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;6-7H,1-5H3;5-7H,1-4H3;5H,1-4H3;3-4H,1-2H3;4H,1-3H3;4-5H,1-3H3;3-4H,1-2H3.

What are the key properties of 2-cyclopentyl-1,5-dimethylpyrrole;3-cyclopentyl-1,2,5-trimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1,2-dimethyl-5-(trifluoromethyl)pyrrole;3-fluoro-1,2-dimethylpyrrole;3-fluoro-1,2,5-trimethylpyrrole;1,2,3,5-tetramethylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole;1,2,3-trimethylpyrrole?

2-cyclopentyl-1,5-dimethylpyrrole;3-cyclopentyl-1,2,5-trimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1,2-dimethyl-5-(trifluoromethyl)pyrrole;3-fluoro-1,2-dimethylpyrrole;3-fluoro-1,2,5-trimethylpyrrole;1,2,3,5-tetramethylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole;1,2,3-trimethylpyrrole has a molecular weight of 1264.84 g/mol, XLogP of 20.71, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-1,5-dimethylpyrrole;3-cyclopentyl-1,2,5-trimethylpyrrole;1,2-dimethyl-5-propan-2-ylpyrrole;1,2-dimethyl-5-(trifluoromethyl)pyrrole;3-fluoro-1,2-dimethylpyrrole;3-fluoro-1,2,5-trimethylpyrrole;1,2,3,5-tetramethylpyrrole;1,2,5-trimethyl-3-propan-2-ylpyrrole;1,2,3-trimethylpyrrole is sourced from PubChem (CID 159929163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).