1,4-dimethylcyclopenta-1,3-diene;1,3-dimethyl-2H-indene;3,5-dimethyl-4H-pyrazole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene;1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene;1-methyl-3-(3-methyl-2H-inden-1-yl)-2H-indene;1-methyl-3-(3-methyl-4,5,6,7-tetrahydro-2H-inden-1-yl)-4,5,6,7-tetrahydro-2H-indene;4-methyl-6-(3-methyl-2,4,5,6-tetrahydropentalen-1-yl)-1,2,3,5-tetrahydropentalene

C126H149N5 — CID 161042822

About 1,4-dimethylcyclopenta-1,3-diene;1,3-dimethyl-2H-indene;3,5-dimethyl-4H-pyrazole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene;1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene;1-methyl-3-(3-methyl-2H-inden-1-yl)-2H-indene;1-methyl-3-(3-methyl-4,5,6,7-tetrahydro-2H-inden-1-yl)-4,5,6,7-tetrahydro-2H-indene;4-methyl-6-(3-methyl-2,4,5,6-tetrahydropentalen-1-yl)-1,2,3,5-tetrahydropentalene

1,4-dimethylcyclopenta-1,3-diene;1,3-dimethyl-2H-indene;3,5-dimethyl-4H-pyrazole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene;1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene;1-methyl-3-(3-methyl-2H-inden-1-yl)-2H-indene;1-methyl-3-(3-methyl-4,5,6,7-tetrahydro-2H-inden-1-yl)-4,5,6,7-tetrahydro-2H-indene;4-methyl-6-(3-methyl-2,4,5,6-tetrahydropentalen-1-yl)-1,2,3,5-tetrahydropentalene (PubChem CID 161042822) has the molecular formula C126H149N5 and a molecular weight of 1733.61 g/mol. Its IUPAC name is 1,4-dimethylcyclopenta-1,3-diene;1,3-dimethyl-2H-indene;3,5-dimethyl-4H-pyrazole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene;1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene;1-methyl-3-(3-methyl-2H-inden-1-yl)-2H-indene;1-methyl-3-(3-methyl-4,5,6,7-tetrahydro-2H-inden-1-yl)-4,5,6,7-tetrahydro-2H-indene;4-methyl-6-(3-methyl-2,4,5,6-tetrahydropentalen-1-yl)-1,2,3,5-tetrahydropentalene.

Molecular Properties

• Compound Name: 1,4-dimethylcyclopenta-1,3-diene;1,3-dimethyl-2H-indene;3,5-dimethyl-4H-pyrazole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene;1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene;1-methyl-3-(3-methyl-2H-inden-1-yl)-2H-indene;1-methyl-3-(3-methyl-4,5,6,7-tetrahydro-2H-inden-1-yl)-4,5,6,7-tetrahydro-2H-indene;4-methyl-6-(3-methyl-2,4,5,6-tetrahydropentalen-1-yl)-1,2,3,5-tetrahydropentalene
• PubChem CID: 161042822
• Molecular Formula: C126H149N5
• Molecular Weight: 1733.61 g/mol
• Exact Mass: 1732.18
• IUPAC Name: 1,4-dimethylcyclopenta-1,3-diene;1,3-dimethyl-2H-indene;3,5-dimethyl-4H-pyrazole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene;1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene;1-methyl-3-(3-methyl-2H-inden-1-yl)-2H-indene;1-methyl-3-(3-methyl-4,5,6,7-tetrahydro-2H-inden-1-yl)-4,5,6,7-tetrahydro-2H-indene;4-methyl-6-(3-methyl-2,4,5,6-tetrahydropentalen-1-yl)-1,2,3,5-tetrahydropentalene
• SMILES: CC1=C2CC=CCC2=C(C2=C3CC=CCC3=C(C)C2)C1.CC1=C2CCCC2=C(C2=C3CCCC3=C(C)C2)C1.CC1=C2CCCCC2=C(C2=C3CCCCC3=C(C)C2)C1.CC1=CC=C(C)C1.CC1=CC=C(C2=CC=C(C)C2)C1.CC1=NN=C(C)C1.CC1=c2ccccc2=C(C)C1.CC1=c2ccccc2=C(C2=c3ccccc3=C(C)C2)C1.Cc1ccc(C)nc1.Cc1cnc(C)nc1
• InChI: InChI=1S/C20H26.C20H22.C20H18.C18H22.C12H14.C11H12.C7H9N.C7H10.C6H8N2.C5H8N2/c3*1-13-11-19(17-9-5-3-7-15(13)17)20-12-14(2)16-8-4-6-10-18(16)20;1-11-9-17(15-7-3-5-13(11)15)18-10-12(2)14-6-4-8-16(14)18;1-9-3-5-11(7-9)12-6-4-10(2)8-12;1-8-7-9(2)11-6-4-3-5-10(8)11;1-6-3-4-7(2)8-5-6;1-6-3-4-7(2)5-6;1-5-3-7-6(2)8-4-5;1-4-3-5(2)7-6-4/h3-12H2,1-2H3;3-6H,7-12H2,1-2H3;3-10H,11-12H2,1-2H3;3-10H2,1-2H3;3-6H,7-8H2,1-2H3;3-6H,7H2,1-2H3;3-5H,1-2H3;3-4H,5H2,1-2H3;3-4H,1-2H3;3H2,1-2H3
• InChIKey: UBCIOZHLDQJAMW-UHFFFAOYSA-N
• XLogP: 30.38
• TPSA: 63.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1733.61
LogP ≤ 5	30.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclopenta-1,3-diene;1,3-dimethyl-2H-indene;3,5-dimethyl-4H-pyrazole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene;1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene;1-methyl-3-(3-methyl-2H-inden-1-yl)-2H-indene;1-methyl-3-(3-methyl-4,5,6,7-tetrahydro-2H-inden-1-yl)-4,5,6,7-tetrahydro-2H-indene;4-methyl-6-(3-methyl-2,4,5,6-tetrahydropentalen-1-yl)-1,2,3,5-tetrahydropentalene?

The IUPAC name of 1,4-dimethylcyclopenta-1,3-diene;1,3-dimethyl-2H-indene;3,5-dimethyl-4H-pyrazole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene;1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene;1-methyl-3-(3-methyl-2H-inden-1-yl)-2H-indene;1-methyl-3-(3-methyl-4,5,6,7-tetrahydro-2H-inden-1-yl)-4,5,6,7-tetrahydro-2H-indene;4-methyl-6-(3-methyl-2,4,5,6-tetrahydropentalen-1-yl)-1,2,3,5-tetrahydropentalene (CID 161042822) is 1,4-dimethylcyclopenta-1,3-diene;1,3-dimethyl-2H-indene;3,5-dimethyl-4H-pyrazole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene;1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene;1-methyl-3-(3-methyl-2H-inden-1-yl)-2H-indene;1-methyl-3-(3-methyl-4,5,6,7-tetrahydro-2H-inden-1-yl)-4,5,6,7-tetrahydro-2H-indene;4-methyl-6-(3-methyl-2,4,5,6-tetrahydropentalen-1-yl)-1,2,3,5-tetrahydropentalene.

What is the SMILES notation for 1,4-dimethylcyclopenta-1,3-diene;1,3-dimethyl-2H-indene;3,5-dimethyl-4H-pyrazole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene;1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene;1-methyl-3-(3-methyl-2H-inden-1-yl)-2H-indene;1-methyl-3-(3-methyl-4,5,6,7-tetrahydro-2H-inden-1-yl)-4,5,6,7-tetrahydro-2H-indene;4-methyl-6-(3-methyl-2,4,5,6-tetrahydropentalen-1-yl)-1,2,3,5-tetrahydropentalene?

The canonical SMILES for 1,4-dimethylcyclopenta-1,3-diene;1,3-dimethyl-2H-indene;3,5-dimethyl-4H-pyrazole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene;1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene;1-methyl-3-(3-methyl-2H-inden-1-yl)-2H-indene;1-methyl-3-(3-methyl-4,5,6,7-tetrahydro-2H-inden-1-yl)-4,5,6,7-tetrahydro-2H-indene;4-methyl-6-(3-methyl-2,4,5,6-tetrahydropentalen-1-yl)-1,2,3,5-tetrahydropentalene is CC1=C2CC=CCC2=C(C2=C3CC=CCC3=C(C)C2)C1.CC1=C2CCCC2=C(C2=C3CCCC3=C(C)C2)C1.CC1=C2CCCCC2=C(C2=C3CCCCC3=C(C)C2)C1.CC1=CC=C(C)C1.CC1=CC=C(C2=CC=C(C)C2)C1.CC1=NN=C(C)C1.CC1=c2ccccc2=C(C)C1.CC1=c2ccccc2=C(C2=c3ccccc3=C(C)C2)C1.Cc1ccc(C)nc1.Cc1cnc(C)nc1.

What is the InChIKey of 1,4-dimethylcyclopenta-1,3-diene;1,3-dimethyl-2H-indene;3,5-dimethyl-4H-pyrazole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene;1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene;1-methyl-3-(3-methyl-2H-inden-1-yl)-2H-indene;1-methyl-3-(3-methyl-4,5,6,7-tetrahydro-2H-inden-1-yl)-4,5,6,7-tetrahydro-2H-indene;4-methyl-6-(3-methyl-2,4,5,6-tetrahydropentalen-1-yl)-1,2,3,5-tetrahydropentalene?

The InChIKey is UBCIOZHLDQJAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26.C20H22.C20H18.C18H22.C12H14.C11H12.C7H9N.C7H10.C6H8N2.C5H8N2/c3*1-13-11-19(17-9-5-3-7-15(13)17)20-12-14(2)16-8-4-6-10-18(16)20;1-11-9-17(15-7-3-5-13(11)15)18-10-12(2)14-6-4-8-16(14)18;1-9-3-5-11(7-9)12-6-4-10(2)8-12;1-8-7-9(2)11-6-4-3-5-10(8)11;1-6-3-4-7(2)8-5-6;1-6-3-4-7(2)5-6;1-5-3-7-6(2)8-4-5;1-4-3-5(2)7-6-4/h3-12H2,1-2H3;3-6H,7-12H2,1-2H3;3-10H,11-12H2,1-2H3;3-10H2,1-2H3;3-6H,7-8H2,1-2H3;3-6H,7H2,1-2H3;3-5H,1-2H3;3-4H,5H2,1-2H3;3-4H,1-2H3;3H2,1-2H3.

What are the key properties of 1,4-dimethylcyclopenta-1,3-diene;1,3-dimethyl-2H-indene;3,5-dimethyl-4H-pyrazole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene;1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene;1-methyl-3-(3-methyl-2H-inden-1-yl)-2H-indene;1-methyl-3-(3-methyl-4,5,6,7-tetrahydro-2H-inden-1-yl)-4,5,6,7-tetrahydro-2H-indene;4-methyl-6-(3-methyl-2,4,5,6-tetrahydropentalen-1-yl)-1,2,3,5-tetrahydropentalene?

1,4-dimethylcyclopenta-1,3-diene;1,3-dimethyl-2H-indene;3,5-dimethyl-4H-pyrazole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene;1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene;1-methyl-3-(3-methyl-2H-inden-1-yl)-2H-indene;1-methyl-3-(3-methyl-4,5,6,7-tetrahydro-2H-inden-1-yl)-4,5,6,7-tetrahydro-2H-indene;4-methyl-6-(3-methyl-2,4,5,6-tetrahydropentalen-1-yl)-1,2,3,5-tetrahydropentalene has a molecular weight of 1733.61 g/mol, XLogP of 30.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylcyclopenta-1,3-diene;1,3-dimethyl-2H-indene;3,5-dimethyl-4H-pyrazole;2,5-dimethylpyridine;2,5-dimethylpyrimidine;1-methyl-4-(4-methylcyclopenta-1,3-dien-1-yl)cyclopenta-1,3-diene;1-methyl-3-(3-methyl-4,7-dihydro-2H-inden-1-yl)-4,7-dihydro-2H-indene;1-methyl-3-(3-methyl-2H-inden-1-yl)-2H-indene;1-methyl-3-(3-methyl-4,5,6,7-tetrahydro-2H-inden-1-yl)-4,5,6,7-tetrahydro-2H-indene;4-methyl-6-(3-methyl-2,4,5,6-tetrahydropentalen-1-yl)-1,2,3,5-tetrahydropentalene is sourced from PubChem (CID 161042822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).