About 1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile
1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile (PubChem CID 5148089) has the molecular formula C7H10N2
and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile.
Molecular Properties
| Compound Name | 1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile |
|---|
| PubChem CID | 5148089 |
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| Molecular Formula | C7H10N2 |
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| Molecular Weight | 122.17 g/mol |
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| Exact Mass | 122.08 |
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| IUPAC Name | 1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile |
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| SMILES | CN1CCC=C(C#N)C1 |
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| InChI | InChI=1S/C7H10N2/c1-9-4-2-3-7(5-8)6-9/h3H,2,4,6H2,1H3 |
|---|
| InChIKey | VVYCNKGYADUXMA-UHFFFAOYSA-N |
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| XLogP | 0.77 |
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| TPSA | 27.03 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 122.17 |
| LogP ≤ 5 | 0.77 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile?
The IUPAC name of 1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile (CID 5148089) is 1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile.
What is the SMILES notation for 1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile?
The canonical SMILES for 1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile is CN1CCC=C(C#N)C1.
What is the InChIKey of 1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile?
The InChIKey is VVYCNKGYADUXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-9-4-2-3-7(5-8)6-9/h3H,2,4,6H2,1H3.
What are the key properties of 1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile?
1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile has a molecular weight of 122.17 g/mol, XLogP of 0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,6-dihydro-2H-pyridine-5-carbonitrile is sourced from PubChem (CID 5148089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).