2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene

C18H25NOS — CID 157138905

IUPAC2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene
SMILESCc1ccc(C)[nH]1.Cc1ccc(C)o1.Cc1ccc(C)s1
InChIInChI=1S/C6H9N.C6H8O.C6H8S/c3*1-5-3-4-6(2)7-5/h3-4,7H,1-2H3;2*3-4H,1-2H3
InChIKeyAJYOBOGLCLYAHC-UHFFFAOYSA-N
MW303.47 g/mol
LogP5.89
Rot. Bonds

About 2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene

2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene (PubChem CID 157138905) has the molecular formula C18H25NOS and a molecular weight of 303.47 g/mol. Its IUPAC name is 2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene.

Molecular Properties

Compound Name2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene
PubChem CID157138905
Molecular FormulaC18H25NOS
Molecular Weight303.47 g/mol
Exact Mass303.17
IUPAC Name2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene
SMILESCc1ccc(C)[nH]1.Cc1ccc(C)o1.Cc1ccc(C)s1
InChIInChI=1S/C6H9N.C6H8O.C6H8S/c3*1-5-3-4-6(2)7-5/h3-4,7H,1-2H3;2*3-4H,1-2H3
InChIKeyAJYOBOGLCLYAHC-UHFFFAOYSA-N
XLogP5.89
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.47
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-diethylfuran;2,5-diethyl-1H-pyrrole
CID 91584734
2-(furan-2-yl)-5-thiophen-2-yl-1H-pyrrole
CID 126723370
2-[5-(furan-2-yl)thiophen-2-yl]-1H-pyrrole
CID 130254975
1,1-dimethyl-2-[N'-[2-(5-methylfuran-2-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-[2-(5-methyl-1H-pyrrol-2-yl)ethyl]carbamimidoyl]guanidine;1,1-dimethyl-2-[N'-[2-(5-methylthiophen-2-yl)ethyl]carbamimidoyl]guanidine
CID 145606809
2-[[5-[(5-iodothiophen-2-yl)methyliodanuidyl]furan-2-yl]methyliodanuidyl]-5-methyl-1H-pyrrole
CID 148137056
2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethyl-1H-silole;2,5-dimethylthiophene
CID 157700340
2,5-Ditert-butylfuran;2,5-ditert-butyl-1-methylpyrrole;2,5-ditert-butylthiophene
CID 157948476
Deuterium monohydride;2,5-ditert-butylfuran;2,6-ditert-butylpyridine;2,5-ditert-butylthiophene;bis(2,2-dimethylpropane);ethane
CID 158189375
1,4-dimethylcyclopenta-1,3-diene;2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1,4-xylene
CID 158472725
2,3-dimethylfuran;2,3-dimethyl-1H-pyrrole;2,3-dimethylthiophene;methane
CID 158558135
bis(2,5-dimethylfuran);2,5-dimethyl-1H-pyrrole;bis(2,5-dimethylthiophene);ethane;1,2,5-trimethylpyrrole
CID 158574103
2,5-bis[(E)-prop-1-enyl]thiophene;(E)-but-2-ene;(2E,4E)-hexa-2,4-diene;3-hexyl-2-[4-hexyl-5-[4-hexyl-5-(4-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-methylthiophene;1-methyl-4-[(E)-2-(4-methylphenyl)ethenyl]benzene;2-methyl-5-[(E)-2-(5-methylthiophen-2-yl)ethenyl]thiophene;2-methyl-5-[5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene;2-methyl-5-[(E)-prop-1-enyl]furan;2-methyl-5-[(E)-prop-1-enyl]-1H-pyrrole;2-methyl-5-[(E)-prop-1-enyl]thiophene;2-methyl-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophene;(2E,4E,6E)-octa-2,4,6-triene;2-[(1E,3E)-penta-1,3-dienyl]-5-[(E)-prop-1-enyl]thiophene;2-[(E)-prop-1-enyl]-5-[5-[(E)-prop-1-enyl]thiophen-2-yl]thiophene
CID 159083040

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene?
The IUPAC name of 2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene (CID 157138905) is 2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene.
What is the SMILES notation for 2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene?
The canonical SMILES for 2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene is Cc1ccc(C)[nH]1.Cc1ccc(C)o1.Cc1ccc(C)s1.
What is the InChIKey of 2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene?
The InChIKey is AJYOBOGLCLYAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.C6H8O.C6H8S/c3*1-5-3-4-6(2)7-5/h3-4,7H,1-2H3;2*3-4H,1-2H3.
What are the key properties of 2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene?
2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene has a molecular weight of 303.47 g/mol, XLogP of 5.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylfuran;2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene is sourced from PubChem (CID 157138905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).