2,5-dimethylfuran;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;1-methoxybut-2-ene;2-methyl-1-benzofuran;1-methylcyclohexene;2-methylcyclopenta-1,3-diene;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;toluene;1,2,5-trimethylpyrrole

C192H282N22O6S3 — CID 159510396

About 2,5-dimethylfuran;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;1-methoxybut-2-ene;2-methyl-1-benzofuran;1-methylcyclohexene;2-methylcyclopenta-1,3-diene;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;toluene;1,2,5-trimethylpyrrole

2,5-dimethylfuran;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;1-methoxybut-2-ene;2-methyl-1-benzofuran;1-methylcyclohexene;2-methylcyclopenta-1,3-diene;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;toluene;1,2,5-trimethylpyrrole (PubChem CID 159510396) has the molecular formula C192H282N22O6S3 and a molecular weight of 3090.72 g/mol. Its IUPAC name is 2,5-dimethylfuran;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;1-methoxybut-2-ene;2-methyl-1-benzofuran;1-methylcyclohexene;2-methylcyclopenta-1,3-diene;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;toluene;1,2,5-trimethylpyrrole.

Molecular Properties

• Compound Name: 2,5-dimethylfuran;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;1-methoxybut-2-ene;2-methyl-1-benzofuran;1-methylcyclohexene;2-methylcyclopenta-1,3-diene;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;toluene;1,2,5-trimethylpyrrole
• PubChem CID: 159510396
• Molecular Formula: C192H282N22O6S3
• Molecular Weight: 3090.72 g/mol
• Exact Mass: 3088.16
• IUPAC Name: 2,5-dimethylfuran;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;1-methoxybut-2-ene;2-methyl-1-benzofuran;1-methylcyclohexene;2-methylcyclopenta-1,3-diene;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;toluene;1,2,5-trimethylpyrrole
• SMILES: CC.CC.CC.CC.CC1=CCC=C1.CC1=CCC=N1.CC1=CCCC1.CC1=CCCCC1.CC1CC1.CC1CCCC1.CC=CCOC.CCc1cccn1C.CN1CCCC1.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2o1.Cc1ccc(C)n1C.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2c(c1)CCO2.Cc1ccc[nH]1.Cc1cccc(=O)[nH]1.Cc1cccc(C(=O)N2CCCC2)c1.Cc1ccccc1.Cc1ccccn1.Cc1cccn1C.Cc1ccn[nH]1.Cc1ccnc(C)c1.Cc1cncs1.Cc1cnn(C)c1.Cc1nccs1.Cn1cccc1.Cn1cccc1.Cn1cccn1
• InChI: InChI=1S/C12H15NO.C9H9N.C9H10O.C9H8O.C7H11N.2C7H9N.C7H11N.C7H12.C7H8.C6H7NO.C6H9N.C6H7N.C6H8O.C6H8S.C6H12.C6H10.C6H8.C5H8N2.C5H11N.4C5H7N.C5H10O.2C4H6N2.2C4H5NS.C4H8.4C2H6/c1-10-5-4-6-11(9-10)12(14)13-7-2-3-8-13;1-7-6-8-4-2-3-5-9(8)10-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-6-8-4-2-3-5-9(8)10-7;1-6-4-5-7(2)8(6)3;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-3-7-5-4-6-8(7)2;2*1-7-5-3-2-4-6-7;1-5-3-2-4-6(8)7-5;1-6-4-3-5-7(6)2;1-6-4-2-3-5-7-6;2*1-5-3-4-6(2)7-5;3*1-6-4-2-3-5-6;1-5-3-6-7(2)4-5;3*1-6-4-2-3-5-6;2*1-5-3-2-4-6-5;1-3-4-5-6-2;1-6-4-2-3-5-6;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-4;4*1-2/h4-6,9H,2-3,7-8H2,1H3;2-6,10H,1H3;2-3,6H,4-5H2,1H3;2-6H,1H3;4-5H,1-3H3;2*3-5H,1-2H3;4-6H,3H2,1-2H3;5H,2-4,6H2,1H3;2-6H,1H3;2-4H,1H3,(H,7,8);3-5H,1-2H3;2-5H,1H3;2*3-4H,1-2H3;6H,2-5H2,1H3;4H,2-3,5H2,1H3;2,4-5H,3H2,1H3;3-4H,1-2H3;2-5H2,1H3;2*2-5H,1H3;3-4H,2H2,1H3;2-4,6H,1H3;3-4H,5H2,1-2H3;2-4H,1H3;2-3H,1H3,(H,5,6);2*2-3H,1H3;4H,2-3H2,1H3;4*1-2H3
• InChIKey: MANHKWCTCOVKTF-UHFFFAOYSA-N
• XLogP: 51.33
• TPSA: 298.51 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 4
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3090.72
LogP ≤ 5	51.33
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;1-methoxybut-2-ene;2-methyl-1-benzofuran;1-methylcyclohexene;2-methylcyclopenta-1,3-diene;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;toluene;1,2,5-trimethylpyrrole?

The IUPAC name of 2,5-dimethylfuran;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;1-methoxybut-2-ene;2-methyl-1-benzofuran;1-methylcyclohexene;2-methylcyclopenta-1,3-diene;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;toluene;1,2,5-trimethylpyrrole (CID 159510396) is 2,5-dimethylfuran;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;1-methoxybut-2-ene;2-methyl-1-benzofuran;1-methylcyclohexene;2-methylcyclopenta-1,3-diene;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;toluene;1,2,5-trimethylpyrrole.

What is the SMILES notation for 2,5-dimethylfuran;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;1-methoxybut-2-ene;2-methyl-1-benzofuran;1-methylcyclohexene;2-methylcyclopenta-1,3-diene;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;toluene;1,2,5-trimethylpyrrole?

The canonical SMILES for 2,5-dimethylfuran;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;1-methoxybut-2-ene;2-methyl-1-benzofuran;1-methylcyclohexene;2-methylcyclopenta-1,3-diene;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;toluene;1,2,5-trimethylpyrrole is CC.CC.CC.CC.CC1=CCC=C1.CC1=CCC=N1.CC1=CCCC1.CC1=CCCCC1.CC1CC1.CC1CCCC1.CC=CCOC.CCc1cccn1C.CN1CCCC1.Cc1cc2ccccc2[nH]1.Cc1cc2ccccc2o1.Cc1ccc(C)n1C.Cc1ccc(C)nc1.Cc1ccc(C)o1.Cc1ccc(C)s1.Cc1ccc2c(c1)CCO2.Cc1ccc[nH]1.Cc1cccc(=O)[nH]1.Cc1cccc(C(=O)N2CCCC2)c1.Cc1ccccc1.Cc1ccccn1.Cc1cccn1C.Cc1ccn[nH]1.Cc1ccnc(C)c1.Cc1cncs1.Cc1cnn(C)c1.Cc1nccs1.Cn1cccc1.Cn1cccc1.Cn1cccn1.

What is the InChIKey of 2,5-dimethylfuran;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;1-methoxybut-2-ene;2-methyl-1-benzofuran;1-methylcyclohexene;2-methylcyclopenta-1,3-diene;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;toluene;1,2,5-trimethylpyrrole?

The InChIKey is MANHKWCTCOVKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO.C9H9N.C9H10O.C9H8O.C7H11N.2C7H9N.C7H11N.C7H12.C7H8.C6H7NO.C6H9N.C6H7N.C6H8O.C6H8S.C6H12.C6H10.C6H8.C5H8N2.C5H11N.4C5H7N.C5H10O.2C4H6N2.2C4H5NS.C4H8.4C2H6/c1-10-5-4-6-11(9-10)12(14)13-7-2-3-8-13;1-7-6-8-4-2-3-5-9(8)10-7;1-7-2-3-9-8(6-7)4-5-10-9;1-7-6-8-4-2-3-5-9(8)10-7;1-6-4-5-7(2)8(6)3;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-3-7-5-4-6-8(7)2;2*1-7-5-3-2-4-6-7;1-5-3-2-4-6(8)7-5;1-6-4-3-5-7(6)2;1-6-4-2-3-5-7-6;2*1-5-3-4-6(2)7-5;3*1-6-4-2-3-5-6;1-5-3-6-7(2)4-5;3*1-6-4-2-3-5-6;2*1-5-3-2-4-6-5;1-3-4-5-6-2;1-6-4-2-3-5-6;1-4-2-3-5-6-4;1-4-2-5-3-6-4;1-4-5-2-3-6-4;1-4-2-3-4;4*1-2/h4-6,9H,2-3,7-8H2,1H3;2-6,10H,1H3;2-3,6H,4-5H2,1H3;2-6H,1H3;4-5H,1-3H3;2*3-5H,1-2H3;4-6H,3H2,1-2H3;5H,2-4,6H2,1H3;2-6H,1H3;2-4H,1H3,(H,7,8);3-5H,1-2H3;2-5H,1H3;2*3-4H,1-2H3;6H,2-5H2,1H3;4H,2-3,5H2,1H3;2,4-5H,3H2,1H3;3-4H,1-2H3;2-5H2,1H3;2*2-5H,1H3;3-4H,2H2,1H3;2-4,6H,1H3;3-4H,5H2,1-2H3;2-4H,1H3;2-3H,1H3,(H,5,6);2*2-3H,1H3;4H,2-3H2,1H3;4*1-2H3.

What are the key properties of 2,5-dimethylfuran;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;1-methoxybut-2-ene;2-methyl-1-benzofuran;1-methylcyclohexene;2-methylcyclopenta-1,3-diene;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;toluene;1,2,5-trimethylpyrrole?

2,5-dimethylfuran;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;1-methoxybut-2-ene;2-methyl-1-benzofuran;1-methylcyclohexene;2-methylcyclopenta-1,3-diene;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;toluene;1,2,5-trimethylpyrrole has a molecular weight of 3090.72 g/mol, XLogP of 51.33, 4 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-dimethylfuran;1,4-dimethylpyrazole;2,4-dimethylpyridine;2,5-dimethylpyridine;1,2-dimethylpyrrole;2,5-dimethylthiophene;ethane;2-ethyl-1-methylpyrrole;1-methoxybut-2-ene;2-methyl-1-benzofuran;1-methylcyclohexene;2-methylcyclopenta-1,3-diene;methylcyclopentane;1-methylcyclopentene;methylcyclopropane;5-methyl-2,3-dihydro-1-benzofuran;2-methyl-1H-indole;(3-methylphenyl)-pyrrolidin-1-ylmethanone;1-methylpyrazole;5-methyl-1H-pyrazole;2-methylpyridine;6-methyl-1H-pyridin-2-one;bis(1-methylpyrrole);2-methyl-1H-pyrrole;5-methyl-3H-pyrrole;1-methylpyrrolidine;2-methyl-1,3-thiazole;5-methyl-1,3-thiazole;toluene;1,2,5-trimethylpyrrole is sourced from PubChem (CID 159510396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).