About 2-methylfuran;3-methylfuran;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene
2-methylfuran;3-methylfuran;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene (PubChem CID 160915759) has the molecular formula C35H45N3O2S2
and a molecular weight of 603.90 g/mol. Its IUPAC name is 2-methylfuran;3-methylfuran;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene.
Molecular Properties
| Compound Name | 2-methylfuran;3-methylfuran;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene |
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| PubChem CID | 160915759 |
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| Molecular Formula | C35H45N3O2S2 |
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| Molecular Weight | 603.90 g/mol |
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| Exact Mass | 603.30 |
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| IUPAC Name | 2-methylfuran;3-methylfuran;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene |
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| SMILES | Cc1cc[nH]c1.Cc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cn1cccc1 |
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| InChI | InChI=1S/3C5H7N.2C5H6O.2C5H6S/c1-5-2-3-6-4-5;1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5/h2-4,6H,1H3;2-5H,1H3;2-4,6H,1H3;4*2-4H,1H3 |
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| InChIKey | SRJNKZAHMFILQT-UHFFFAOYSA-N |
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| XLogP | 10.96 |
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| TPSA | 62.79 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 603.90 |
| LogP ≤ 5 | 10.96 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of 2-methylfuran;3-methylfuran;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene?
The IUPAC name of 2-methylfuran;3-methylfuran;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene (CID 160915759) is 2-methylfuran;3-methylfuran;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene.
What is the SMILES notation for 2-methylfuran;3-methylfuran;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene?
The canonical SMILES for 2-methylfuran;3-methylfuran;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene is Cc1cc[nH]c1.Cc1ccc[nH]1.Cc1ccco1.Cc1cccs1.Cc1ccoc1.Cc1ccsc1.Cn1cccc1.
What is the InChIKey of 2-methylfuran;3-methylfuran;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene?
The InChIKey is SRJNKZAHMFILQT-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H7N.2C5H6O.2C5H6S/c1-5-2-3-6-4-5;1-6-4-2-3-5-6;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5;1-5-2-3-6-4-5;1-5-3-2-4-6-5/h2-4,6H,1H3;2-5H,1H3;2-4,6H,1H3;4*2-4H,1H3.
What are the key properties of 2-methylfuran;3-methylfuran;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene?
2-methylfuran;3-methylfuran;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene has a molecular weight of 603.90 g/mol, XLogP of 10.96, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylfuran;3-methylfuran;1-methylpyrrole;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;2-methylthiophene;3-methylthiophene is sourced from PubChem (CID 160915759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).