1,2-dimethylcyclopenta-1,3-diene;2,3-dimethylpyrazine;3,4-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-3H-pyrrole);1,2-xylene

C79H107N13 — CID 158785175

About 1,2-dimethylcyclopenta-1,3-diene;2,3-dimethylpyrazine;3,4-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-3H-pyrrole);1,2-xylene

1,2-dimethylcyclopenta-1,3-diene;2,3-dimethylpyrazine;3,4-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-3H-pyrrole);1,2-xylene (PubChem CID 158785175) has the molecular formula C79H107N13 and a molecular weight of 1238.82 g/mol. Its IUPAC name is 1,2-dimethylcyclopenta-1,3-diene;2,3-dimethylpyrazine;3,4-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-3H-pyrrole);1,2-xylene.

Molecular Properties

• Compound Name: 1,2-dimethylcyclopenta-1,3-diene;2,3-dimethylpyrazine;3,4-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-3H-pyrrole);1,2-xylene
• PubChem CID: 158785175
• Molecular Formula: C79H107N13
• Molecular Weight: 1238.82 g/mol
• Exact Mass: 1237.88
• IUPAC Name: 1,2-dimethylcyclopenta-1,3-diene;2,3-dimethylpyrazine;3,4-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-3H-pyrrole);1,2-xylene
• SMILES: CC1=C(C)CC=C1.CC1=C(C)N=CC1.CC1=C(C)N=CC1.Cc1cc[nH]c1C.Cc1ccccc1C.Cc1cccnc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1ccncc1C.Cc1ccnnc1C.Cc1cncnc1C.Cc1nccnc1C
• InChI: InChI=1S/C8H10.4C7H9N.C7H10.3C6H8N2.3C6H9N/c1-7-5-3-4-6-8(7)2;2*1-6-3-4-8-5-7(6)2;2*1-6-4-3-5-8-7(6)2;1-6-4-3-5-7(6)2;1-5-3-7-4-8-6(5)2;1-5-6(2)8-4-3-7-5;1-5-3-4-7-8-6(5)2;3*1-5-3-4-7-6(5)2/h3-6H,1-2H3;4*3-5H,1-2H3;3-4H,5H2,1-2H3;3*3-4H,1-2H3;2*4H,3H2,1-2H3;3-4,7H,1-2H3
• InChIKey: IROWQLYSOSTDHS-UHFFFAOYSA-N
• XLogP: 19.80
• TPSA: 169.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1238.82
LogP ≤ 5	19.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylcyclopenta-1,3-diene;2,3-dimethylpyrazine;3,4-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-3H-pyrrole);1,2-xylene?

The IUPAC name of 1,2-dimethylcyclopenta-1,3-diene;2,3-dimethylpyrazine;3,4-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-3H-pyrrole);1,2-xylene (CID 158785175) is 1,2-dimethylcyclopenta-1,3-diene;2,3-dimethylpyrazine;3,4-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-3H-pyrrole);1,2-xylene.

What is the SMILES notation for 1,2-dimethylcyclopenta-1,3-diene;2,3-dimethylpyrazine;3,4-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-3H-pyrrole);1,2-xylene?

The canonical SMILES for 1,2-dimethylcyclopenta-1,3-diene;2,3-dimethylpyrazine;3,4-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-3H-pyrrole);1,2-xylene is CC1=C(C)CC=C1.CC1=C(C)N=CC1.CC1=C(C)N=CC1.Cc1cc[nH]c1C.Cc1ccccc1C.Cc1cccnc1C.Cc1cccnc1C.Cc1ccncc1C.Cc1ccncc1C.Cc1ccnnc1C.Cc1cncnc1C.Cc1nccnc1C.

What is the InChIKey of 1,2-dimethylcyclopenta-1,3-diene;2,3-dimethylpyrazine;3,4-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-3H-pyrrole);1,2-xylene?

The InChIKey is IROWQLYSOSTDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.4C7H9N.C7H10.3C6H8N2.3C6H9N/c1-7-5-3-4-6-8(7)2;2*1-6-3-4-8-5-7(6)2;2*1-6-4-3-5-8-7(6)2;1-6-4-3-5-7(6)2;1-5-3-7-4-8-6(5)2;1-5-6(2)8-4-3-7-5;1-5-3-4-7-8-6(5)2;3*1-5-3-4-7-6(5)2/h3-6H,1-2H3;4*3-5H,1-2H3;3-4H,5H2,1-2H3;3*3-4H,1-2H3;2*4H,3H2,1-2H3;3-4,7H,1-2H3.

What are the key properties of 1,2-dimethylcyclopenta-1,3-diene;2,3-dimethylpyrazine;3,4-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-3H-pyrrole);1,2-xylene?

1,2-dimethylcyclopenta-1,3-diene;2,3-dimethylpyrazine;3,4-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-3H-pyrrole);1,2-xylene has a molecular weight of 1238.82 g/mol, XLogP of 19.80, 0 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2-dimethylcyclopenta-1,3-diene;2,3-dimethylpyrazine;3,4-dimethylpyridazine;bis(2,3-dimethylpyridine);bis(3,4-dimethylpyridine);4,5-dimethylpyrimidine;2,3-dimethyl-1H-pyrrole;bis(4,5-dimethyl-3H-pyrrole);1,2-xylene is sourced from PubChem (CID 158785175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).