1,5-dimethyl-4H-cyclopenta[b]pyrrole;1,6-dimethyl-4,5-dihydroindole;5-methyl-4H-cyclopenta[b]furan;5-methyl-4H-cyclopenta[b]thiophene;6-methyl-4,5-dihydro-1-benzofuran;6-methyl-4,5-dihydro-1-benzothiophene;6-methyl-4,5-dihydro-1,3-benzoxazole;3-methyl-1,2-dihydronaphthalene;2-methyl-1H-indene;2-phenyl-1H-indene

C97H103N3O3S2 — CID 158553745

About 1,5-dimethyl-4H-cyclopenta[b]pyrrole;1,6-dimethyl-4,5-dihydroindole;5-methyl-4H-cyclopenta[b]furan;5-methyl-4H-cyclopenta[b]thiophene;6-methyl-4,5-dihydro-1-benzofuran;6-methyl-4,5-dihydro-1-benzothiophene;6-methyl-4,5-dihydro-1,3-benzoxazole;3-methyl-1,2-dihydronaphthalene;2-methyl-1H-indene;2-phenyl-1H-indene

1,5-dimethyl-4H-cyclopenta[b]pyrrole;1,6-dimethyl-4,5-dihydroindole;5-methyl-4H-cyclopenta[b]furan;5-methyl-4H-cyclopenta[b]thiophene;6-methyl-4,5-dihydro-1-benzofuran;6-methyl-4,5-dihydro-1-benzothiophene;6-methyl-4,5-dihydro-1,3-benzoxazole;3-methyl-1,2-dihydronaphthalene;2-methyl-1H-indene;2-phenyl-1H-indene (PubChem CID 158553745) has the molecular formula C97H103N3O3S2 and a molecular weight of 1423.04 g/mol. Its IUPAC name is 1,5-dimethyl-4H-cyclopenta[b]pyrrole;1,6-dimethyl-4,5-dihydroindole;5-methyl-4H-cyclopenta[b]furan;5-methyl-4H-cyclopenta[b]thiophene;6-methyl-4,5-dihydro-1-benzofuran;6-methyl-4,5-dihydro-1-benzothiophene;6-methyl-4,5-dihydro-1,3-benzoxazole;3-methyl-1,2-dihydronaphthalene;2-methyl-1H-indene;2-phenyl-1H-indene.

Molecular Properties

• Compound Name: 1,5-dimethyl-4H-cyclopenta[b]pyrrole;1,6-dimethyl-4,5-dihydroindole;5-methyl-4H-cyclopenta[b]furan;5-methyl-4H-cyclopenta[b]thiophene;6-methyl-4,5-dihydro-1-benzofuran;6-methyl-4,5-dihydro-1-benzothiophene;6-methyl-4,5-dihydro-1,3-benzoxazole;3-methyl-1,2-dihydronaphthalene;2-methyl-1H-indene;2-phenyl-1H-indene
• PubChem CID: 158553745
• Molecular Formula: C97H103N3O3S2
• Molecular Weight: 1423.04 g/mol
• Exact Mass: 1421.74
• IUPAC Name: 1,5-dimethyl-4H-cyclopenta[b]pyrrole;1,6-dimethyl-4,5-dihydroindole;5-methyl-4H-cyclopenta[b]furan;5-methyl-4H-cyclopenta[b]thiophene;6-methyl-4,5-dihydro-1-benzofuran;6-methyl-4,5-dihydro-1-benzothiophene;6-methyl-4,5-dihydro-1,3-benzoxazole;3-methyl-1,2-dihydronaphthalene;2-methyl-1H-indene;2-phenyl-1H-indene
• SMILES: C1=C(c2ccccc2)Cc2ccccc21.CC1=Cc2c(ccn2C)C1.CC1=Cc2c(ccn2C)CC1.CC1=Cc2ccccc2C1.CC1=Cc2ccccc2CC1.CC1=Cc2occc2C1.CC1=Cc2occc2CC1.CC1=Cc2ocnc2CC1.CC1=Cc2sccc2C1.CC1=Cc2sccc2CC1
• InChI: InChI=1S/C15H12.C11H12.C10H13N.C10H10.C9H11N.C9H10O.C9H10S.C8H9NO.C8H8O.C8H8S/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-3-4-9-5-6-11(2)10(9)7-8;1-8-6-9-4-2-3-5-10(9)7-8;1-7-5-8-3-4-10(2)9(8)6-7;2*1-7-2-3-8-4-5-10-9(8)6-7;1-6-2-3-7-8(4-6)10-5-9-7;2*1-6-4-7-2-3-9-8(7)5-6/h1-10H,11H2;2-5,8H,6-7H2,1H3;5-7H,3-4H2,1-2H3;2-6H,7H2,1H3;3-4,6H,5H2,1-2H3;2*4-6H,2-3H2,1H3;4-5H,2-3H2,1H3;2*2-3,5H,4H2,1H3
• InChIKey: HQAKEHQPRUFTEW-UHFFFAOYSA-N
• XLogP: 26.52
• TPSA: 62.17 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 1
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1423.04
LogP ≤ 5	26.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4H-cyclopenta[b]pyrrole;1,6-dimethyl-4,5-dihydroindole;5-methyl-4H-cyclopenta[b]furan;5-methyl-4H-cyclopenta[b]thiophene;6-methyl-4,5-dihydro-1-benzofuran;6-methyl-4,5-dihydro-1-benzothiophene;6-methyl-4,5-dihydro-1,3-benzoxazole;3-methyl-1,2-dihydronaphthalene;2-methyl-1H-indene;2-phenyl-1H-indene?

The IUPAC name of 1,5-dimethyl-4H-cyclopenta[b]pyrrole;1,6-dimethyl-4,5-dihydroindole;5-methyl-4H-cyclopenta[b]furan;5-methyl-4H-cyclopenta[b]thiophene;6-methyl-4,5-dihydro-1-benzofuran;6-methyl-4,5-dihydro-1-benzothiophene;6-methyl-4,5-dihydro-1,3-benzoxazole;3-methyl-1,2-dihydronaphthalene;2-methyl-1H-indene;2-phenyl-1H-indene (CID 158553745) is 1,5-dimethyl-4H-cyclopenta[b]pyrrole;1,6-dimethyl-4,5-dihydroindole;5-methyl-4H-cyclopenta[b]furan;5-methyl-4H-cyclopenta[b]thiophene;6-methyl-4,5-dihydro-1-benzofuran;6-methyl-4,5-dihydro-1-benzothiophene;6-methyl-4,5-dihydro-1,3-benzoxazole;3-methyl-1,2-dihydronaphthalene;2-methyl-1H-indene;2-phenyl-1H-indene.

What is the SMILES notation for 1,5-dimethyl-4H-cyclopenta[b]pyrrole;1,6-dimethyl-4,5-dihydroindole;5-methyl-4H-cyclopenta[b]furan;5-methyl-4H-cyclopenta[b]thiophene;6-methyl-4,5-dihydro-1-benzofuran;6-methyl-4,5-dihydro-1-benzothiophene;6-methyl-4,5-dihydro-1,3-benzoxazole;3-methyl-1,2-dihydronaphthalene;2-methyl-1H-indene;2-phenyl-1H-indene?

The canonical SMILES for 1,5-dimethyl-4H-cyclopenta[b]pyrrole;1,6-dimethyl-4,5-dihydroindole;5-methyl-4H-cyclopenta[b]furan;5-methyl-4H-cyclopenta[b]thiophene;6-methyl-4,5-dihydro-1-benzofuran;6-methyl-4,5-dihydro-1-benzothiophene;6-methyl-4,5-dihydro-1,3-benzoxazole;3-methyl-1,2-dihydronaphthalene;2-methyl-1H-indene;2-phenyl-1H-indene is C1=C(c2ccccc2)Cc2ccccc21.CC1=Cc2c(ccn2C)C1.CC1=Cc2c(ccn2C)CC1.CC1=Cc2ccccc2C1.CC1=Cc2ccccc2CC1.CC1=Cc2occc2C1.CC1=Cc2occc2CC1.CC1=Cc2ocnc2CC1.CC1=Cc2sccc2C1.CC1=Cc2sccc2CC1.

What is the InChIKey of 1,5-dimethyl-4H-cyclopenta[b]pyrrole;1,6-dimethyl-4,5-dihydroindole;5-methyl-4H-cyclopenta[b]furan;5-methyl-4H-cyclopenta[b]thiophene;6-methyl-4,5-dihydro-1-benzofuran;6-methyl-4,5-dihydro-1-benzothiophene;6-methyl-4,5-dihydro-1,3-benzoxazole;3-methyl-1,2-dihydronaphthalene;2-methyl-1H-indene;2-phenyl-1H-indene?

The InChIKey is HQAKEHQPRUFTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12.C11H12.C10H13N.C10H10.C9H11N.C9H10O.C9H10S.C8H9NO.C8H8O.C8H8S/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-15;1-9-6-7-10-4-2-3-5-11(10)8-9;1-8-3-4-9-5-6-11(2)10(9)7-8;1-8-6-9-4-2-3-5-10(9)7-8;1-7-5-8-3-4-10(2)9(8)6-7;2*1-7-2-3-8-4-5-10-9(8)6-7;1-6-2-3-7-8(4-6)10-5-9-7;2*1-6-4-7-2-3-9-8(7)5-6/h1-10H,11H2;2-5,8H,6-7H2,1H3;5-7H,3-4H2,1-2H3;2-6H,7H2,1H3;3-4,6H,5H2,1-2H3;2*4-6H,2-3H2,1H3;4-5H,2-3H2,1H3;2*2-3,5H,4H2,1H3.

What are the key properties of 1,5-dimethyl-4H-cyclopenta[b]pyrrole;1,6-dimethyl-4,5-dihydroindole;5-methyl-4H-cyclopenta[b]furan;5-methyl-4H-cyclopenta[b]thiophene;6-methyl-4,5-dihydro-1-benzofuran;6-methyl-4,5-dihydro-1-benzothiophene;6-methyl-4,5-dihydro-1,3-benzoxazole;3-methyl-1,2-dihydronaphthalene;2-methyl-1H-indene;2-phenyl-1H-indene?

1,5-dimethyl-4H-cyclopenta[b]pyrrole;1,6-dimethyl-4,5-dihydroindole;5-methyl-4H-cyclopenta[b]furan;5-methyl-4H-cyclopenta[b]thiophene;6-methyl-4,5-dihydro-1-benzofuran;6-methyl-4,5-dihydro-1-benzothiophene;6-methyl-4,5-dihydro-1,3-benzoxazole;3-methyl-1,2-dihydronaphthalene;2-methyl-1H-indene;2-phenyl-1H-indene has a molecular weight of 1423.04 g/mol, XLogP of 26.52, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dimethyl-4H-cyclopenta[b]pyrrole;1,6-dimethyl-4,5-dihydroindole;5-methyl-4H-cyclopenta[b]furan;5-methyl-4H-cyclopenta[b]thiophene;6-methyl-4,5-dihydro-1-benzofuran;6-methyl-4,5-dihydro-1-benzothiophene;6-methyl-4,5-dihydro-1,3-benzoxazole;3-methyl-1,2-dihydronaphthalene;2-methyl-1H-indene;2-phenyl-1H-indene is sourced from PubChem (CID 158553745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).