1,2-dimethylpyrrole;ethane;2-methylfuran;2-methylthiophene;pyridine;1,4-xylene

C37H60N2OS — CID 159371866

IUPAC1,2-dimethylpyrrole;ethane;2-methylfuran;2-methylthiophene;pyridine;1,4-xylene
SMILESCC.CC.CC.CC.Cc1ccc(C)cc1.Cc1cccn1C.Cc1ccco1.Cc1cccs1.c1ccncc1
InChIInChI=1S/C8H10.C6H9N.C5H5N.C5H6O.C5H6S.4C2H6/c1-7-3-5-8(2)6-4-7;1-6-4-3-5-7(6)2;1-2-4-6-5-3-1;2*1-5-3-2-4-6-5;4*1-2/h3-6H,1-2H3;3-5H,1-2H3;1-5H;2*2-4H,1H3;4*1-2H3
InChIKeyLJVQXUWUNUHLHB-UHFFFAOYSA-N
MW580.97 g/mol
LogP12.47
Rot. Bonds

About 1,2-dimethylpyrrole;ethane;2-methylfuran;2-methylthiophene;pyridine;1,4-xylene

1,2-dimethylpyrrole;ethane;2-methylfuran;2-methylthiophene;pyridine;1,4-xylene (PubChem CID 159371866) has the molecular formula C37H60N2OS and a molecular weight of 580.97 g/mol. Its IUPAC name is 1,2-dimethylpyrrole;ethane;2-methylfuran;2-methylthiophene;pyridine;1,4-xylene.

Molecular Properties

Compound Name1,2-dimethylpyrrole;ethane;2-methylfuran;2-methylthiophene;pyridine;1,4-xylene
PubChem CID159371866
Molecular FormulaC37H60N2OS
Molecular Weight580.97 g/mol
Exact Mass580.44
IUPAC Name1,2-dimethylpyrrole;ethane;2-methylfuran;2-methylthiophene;pyridine;1,4-xylene
SMILESCC.CC.CC.CC.Cc1ccc(C)cc1.Cc1cccn1C.Cc1ccco1.Cc1cccs1.c1ccncc1
InChIInChI=1S/C8H10.C6H9N.C5H5N.C5H6O.C5H6S.4C2H6/c1-7-3-5-8(2)6-4-7;1-6-4-3-5-7(6)2;1-2-4-6-5-3-1;2*1-5-3-2-4-6-5;4*1-2/h3-6H,1-2H3;3-5H,1-2H3;1-5H;2*2-4H,1H3;4*1-2H3
InChIKeyLJVQXUWUNUHLHB-UHFFFAOYSA-N
XLogP12.47
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.97
LogP ≤ 512.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,2-dimethylpyrrole;ethane;2-methylfuran;2-methylthiophene;pyridine;1,4-xylene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-methylfuran;2-methylthiophene
CID 143639755
1,2-dimethylpyrrole;ethane;bis(2-methylfuran);bis(3-methylfuran);5-methyl-1,2-oxazole;1-methylpyrrole;3-methyl-1,2-thiazole;bis(2-methylthiophene);bis(3-methylthiophene)
CID 160791427
1,5-dimethylpyrazole;ethylbenzene;methoxymethylbenzene;2-methylfuran;2-methylthiophene;3-methylthiophene;toluene
CID 158813165
2-methylthiophene;toluene
CID 142082990
ethane;2-methylthiophene
CID 90990568
ethane;ethylbenzene;1-methylcyclopenta-1,3-diene;2-methylfuran;4-methylpyridine;2-methyl-1H-pyrrole;2-methylthiophene;toluene
CID 159860807
bis(pyridine);1,4-xylene;hydrobromide
CID 70404637
2-methylthiophene
CID 143626612
1,3-dimethylpyrazole;ethane;2-methylfuran
CID 142324709
ethane;bis(pyridine);toluene
CID 90934596
2-methylfuran;propane
CID 142817027
furan;pyridine;toluene
CID 20561534

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylpyrrole;ethane;2-methylfuran;2-methylthiophene;pyridine;1,4-xylene?
The IUPAC name of 1,2-dimethylpyrrole;ethane;2-methylfuran;2-methylthiophene;pyridine;1,4-xylene (CID 159371866) is 1,2-dimethylpyrrole;ethane;2-methylfuran;2-methylthiophene;pyridine;1,4-xylene.
What is the SMILES notation for 1,2-dimethylpyrrole;ethane;2-methylfuran;2-methylthiophene;pyridine;1,4-xylene?
The canonical SMILES for 1,2-dimethylpyrrole;ethane;2-methylfuran;2-methylthiophene;pyridine;1,4-xylene is CC.CC.CC.CC.Cc1ccc(C)cc1.Cc1cccn1C.Cc1ccco1.Cc1cccs1.c1ccncc1.
What is the InChIKey of 1,2-dimethylpyrrole;ethane;2-methylfuran;2-methylthiophene;pyridine;1,4-xylene?
The InChIKey is LJVQXUWUNUHLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C6H9N.C5H5N.C5H6O.C5H6S.4C2H6/c1-7-3-5-8(2)6-4-7;1-6-4-3-5-7(6)2;1-2-4-6-5-3-1;2*1-5-3-2-4-6-5;4*1-2/h3-6H,1-2H3;3-5H,1-2H3;1-5H;2*2-4H,1H3;4*1-2H3.
What are the key properties of 1,2-dimethylpyrrole;ethane;2-methylfuran;2-methylthiophene;pyridine;1,4-xylene?
1,2-dimethylpyrrole;ethane;2-methylfuran;2-methylthiophene;pyridine;1,4-xylene has a molecular weight of 580.97 g/mol, XLogP of 12.47, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylpyrrole;ethane;2-methylfuran;2-methylthiophene;pyridine;1,4-xylene is sourced from PubChem (CID 159371866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).