1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;2,3,5-trimethylfuran;2,3,5-trimethylthiophene

C80H105N5O2S2 — CID 158193627

About 1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;2,3,5-trimethylfuran;2,3,5-trimethylthiophene

1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;2,3,5-trimethylfuran;2,3,5-trimethylthiophene (PubChem CID 158193627) has the molecular formula C80H105N5O2S2 and a molecular weight of 1232.89 g/mol. Its IUPAC name is 1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;2,3,5-trimethylfuran;2,3,5-trimethylthiophene.

Molecular Properties

• Compound Name: 1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;2,3,5-trimethylfuran;2,3,5-trimethylthiophene
• PubChem CID: 158193627
• Molecular Formula: C80H105N5O2S2
• Molecular Weight: 1232.89 g/mol
• Exact Mass: 1231.77
• IUPAC Name: 1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;2,3,5-trimethylfuran;2,3,5-trimethylthiophene
• SMILES: Cc1c(C)c(C)n(C)c1C.Cc1cc(C)c(C)o1.Cc1cc(C)c(C)s1.Cc1cc(C)n(C)c1C.Cc1cc2ccccc2c(C)n1.Cc1cccc2c(C)nccc12.Cc1cnc(C)c2ccccc12.Cc1oc(C)c(C)c1C.Cc1sc(C)c(C)c1C
• InChI: InChI=1S/3C11H11N.C9H15N.C8H13N.C8H12O.C8H12S.C7H10O.C7H10S/c1-8-4-3-5-11-9(2)12-7-6-10(8)11;1-8-7-12-9(2)11-6-4-3-5-10(8)11;1-8-7-10-5-3-4-6-11(10)9(2)12-8;1-6-7(2)9(4)10(5)8(6)3;1-6-5-7(2)9(4)8(6)3;2*1-5-6(2)8(4)9-7(5)3;2*1-5-4-6(2)8-7(5)3/h3*3-7H,1-2H3;1-5H3;5H,1-4H3;2*1-4H3;2*4H,1-3H3
• InChIKey: GABLOYIYZAZQIK-UHFFFAOYSA-N
• XLogP: 23.14
• TPSA: 74.81 Ų
• H-Bond Acceptors: 9
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1232.89
LogP ≤ 5	23.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;2,3,5-trimethylfuran;2,3,5-trimethylthiophene?

The IUPAC name of 1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;2,3,5-trimethylfuran;2,3,5-trimethylthiophene (CID 158193627) is 1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;2,3,5-trimethylfuran;2,3,5-trimethylthiophene.

What is the SMILES notation for 1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;2,3,5-trimethylfuran;2,3,5-trimethylthiophene?

The canonical SMILES for 1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;2,3,5-trimethylfuran;2,3,5-trimethylthiophene is Cc1c(C)c(C)n(C)c1C.Cc1cc(C)c(C)o1.Cc1cc(C)c(C)s1.Cc1cc(C)n(C)c1C.Cc1cc2ccccc2c(C)n1.Cc1cccc2c(C)nccc12.Cc1cnc(C)c2ccccc12.Cc1oc(C)c(C)c1C.Cc1sc(C)c(C)c1C.

What is the InChIKey of 1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;2,3,5-trimethylfuran;2,3,5-trimethylthiophene?

The InChIKey is GABLOYIYZAZQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H11N.C9H15N.C8H13N.C8H12O.C8H12S.C7H10O.C7H10S/c1-8-4-3-5-11-9(2)12-7-6-10(8)11;1-8-7-12-9(2)11-6-4-3-5-10(8)11;1-8-7-10-5-3-4-6-11(10)9(2)12-8;1-6-7(2)9(4)10(5)8(6)3;1-6-5-7(2)9(4)8(6)3;2*1-5-6(2)8(4)9-7(5)3;2*1-5-4-6(2)8-7(5)3/h3*3-7H,1-2H3;1-5H3;5H,1-4H3;2*1-4H3;2*4H,1-3H3.

What are the key properties of 1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;2,3,5-trimethylfuran;2,3,5-trimethylthiophene?

1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;2,3,5-trimethylfuran;2,3,5-trimethylthiophene has a molecular weight of 1232.89 g/mol, XLogP of 23.14, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethylisoquinoline;1,4-dimethylisoquinoline;1,5-dimethylisoquinoline;1,2,3,4,5-pentamethylpyrrole;2,3,4,5-tetramethylfuran;1,2,3,5-tetramethylpyrrole;2,3,4,5-tetramethylthiophene;2,3,5-trimethylfuran;2,3,5-trimethylthiophene is sourced from PubChem (CID 158193627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).