2,5-dimethyl-1H-pyrrole;ethane;methylcyclohexane;2-methylfuran;4-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene

C85H159N7O2S2 — CID 157353944

About 2,5-dimethyl-1H-pyrrole;ethane;methylcyclohexane;2-methylfuran;4-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene

2,5-dimethyl-1H-pyrrole;ethane;methylcyclohexane;2-methylfuran;4-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene (PubChem CID 157353944) has the molecular formula C85H159N7O2S2 and a molecular weight of 1375.39 g/mol. Its IUPAC name is 2,5-dimethyl-1H-pyrrole;ethane;methylcyclohexane;2-methylfuran;4-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene.

Molecular Properties

• Compound Name: 2,5-dimethyl-1H-pyrrole;ethane;methylcyclohexane;2-methylfuran;4-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene
• PubChem CID: 157353944
• Molecular Formula: C85H159N7O2S2
• Molecular Weight: 1375.39 g/mol
• Exact Mass: 1374.20
• IUPAC Name: 2,5-dimethyl-1H-pyrrole;ethane;methylcyclohexane;2-methylfuran;4-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCCCC1.CC1CCNCC1.CN1CCOCC1.Cc1ccc(C)[nH]1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccsc1.Cc1ncccn1
• InChI: InChI=1S/C7H14.C7H8.C6H9N.C6H13N.2C6H7N.C5H6N2.C5H11NO.C5H6O.2C5H6S.11C2H6/c2*1-7-5-3-2-4-6-7;1-5-3-4-6(2)7-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5;1-6-2-4-7-5-3-6;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;11*1-2/h7H,2-6H2,1H3;2-6H,1H3;3-4,7H,1-2H3;6-7H,2-5H2,1H3;2*2-5H,1H3;2-4H,1H3;2-5H2,1H3;3*2-4H,1H3;11*1-2H3
• InChIKey: BHVYAXCXCQQYKX-UHFFFAOYSA-N
• XLogP: 27.72
• TPSA: 104.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1375.39
LogP ≤ 5	27.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1H-pyrrole;ethane;methylcyclohexane;2-methylfuran;4-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene?

The IUPAC name of 2,5-dimethyl-1H-pyrrole;ethane;methylcyclohexane;2-methylfuran;4-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene (CID 157353944) is 2,5-dimethyl-1H-pyrrole;ethane;methylcyclohexane;2-methylfuran;4-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene.

What is the SMILES notation for 2,5-dimethyl-1H-pyrrole;ethane;methylcyclohexane;2-methylfuran;4-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene?

The canonical SMILES for 2,5-dimethyl-1H-pyrrole;ethane;methylcyclohexane;2-methylfuran;4-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC1CCCCC1.CC1CCNCC1.CN1CCOCC1.Cc1ccc(C)[nH]1.Cc1ccccc1.Cc1ccccn1.Cc1cccnc1.Cc1ccco1.Cc1cccs1.Cc1ccsc1.Cc1ncccn1.

What is the InChIKey of 2,5-dimethyl-1H-pyrrole;ethane;methylcyclohexane;2-methylfuran;4-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene?

The InChIKey is BHVYAXCXCQQYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C7H8.C6H9N.C6H13N.2C6H7N.C5H6N2.C5H11NO.C5H6O.2C5H6S.11C2H6/c2*1-7-5-3-2-4-6-7;1-5-3-4-6(2)7-5;1-6-2-4-7-5-3-6;1-6-3-2-4-7-5-6;1-6-4-2-3-5-7-6;1-5-6-3-2-4-7-5;1-6-2-4-7-5-3-6;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;11*1-2/h7H,2-6H2,1H3;2-6H,1H3;3-4,7H,1-2H3;6-7H,2-5H2,1H3;2*2-5H,1H3;2-4H,1H3;2-5H2,1H3;3*2-4H,1H3;11*1-2H3.

What are the key properties of 2,5-dimethyl-1H-pyrrole;ethane;methylcyclohexane;2-methylfuran;4-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene?

2,5-dimethyl-1H-pyrrole;ethane;methylcyclohexane;2-methylfuran;4-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene has a molecular weight of 1375.39 g/mol, XLogP of 27.72, 0 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethyl-1H-pyrrole;ethane;methylcyclohexane;2-methylfuran;4-methylmorpholine;4-methylpiperidine;2-methylpyridine;3-methylpyridine;2-methylpyrimidine;2-methylthiophene;3-methylthiophene;toluene is sourced from PubChem (CID 157353944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).