About (E)-2-[4-ethenyl-6-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-4-morpholin-4-ylpent-2-enenitrile
(E)-2-[4-ethenyl-6-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-4-morpholin-4-ylpent-2-enenitrile (PubChem CID 164531646) has the molecular formula C22H31N3O2
and a molecular weight of 369.51 g/mol. Its IUPAC name is (E)-2-[4-ethenyl-6-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-4-morpholin-4-ylpent-2-enenitrile.
Molecular Properties
| Compound Name | (E)-2-[4-ethenyl-6-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-4-morpholin-4-ylpent-2-enenitrile |
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| PubChem CID | 164531646 |
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| Molecular Formula | C22H31N3O2 |
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| Molecular Weight | 369.51 g/mol |
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| Exact Mass | 369.24 |
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| IUPAC Name | (E)-2-[4-ethenyl-6-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-4-morpholin-4-ylpent-2-enenitrile |
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| SMILES | C=CC1=C(/C=C\C)C(C)N(C(=O)/C(C#N)=C/C(C)(C)N2CCOCC2)CC1 |
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| InChI | InChI=1S/C22H31N3O2/c1-6-8-20-17(3)25(10-9-18(20)7-2)21(26)19(16-23)15-22(4,5)24-11-13-27-14-12-24/h6-8,15,17H,2,9-14H2,1,3-5H3/b8-6-,19-15+ |
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| InChIKey | SIARGECDHMZKES-ROYWYJAXSA-N |
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| XLogP | 3.23 |
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| TPSA | 56.57 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 27 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 369.51 |
| LogP ≤ 5 | 3.23 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (E)-2-[4-ethenyl-6-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-4-morpholin-4-ylpent-2-enenitrile?
The IUPAC name of (E)-2-[4-ethenyl-6-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-4-morpholin-4-ylpent-2-enenitrile (CID 164531646) is (E)-2-[4-ethenyl-6-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-4-morpholin-4-ylpent-2-enenitrile.
What is the SMILES notation for (E)-2-[4-ethenyl-6-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-4-morpholin-4-ylpent-2-enenitrile?
The canonical SMILES for (E)-2-[4-ethenyl-6-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-4-morpholin-4-ylpent-2-enenitrile is C=CC1=C(/C=C\C)C(C)N(C(=O)/C(C#N)=C/C(C)(C)N2CCOCC2)CC1.
What is the InChIKey of (E)-2-[4-ethenyl-6-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-4-morpholin-4-ylpent-2-enenitrile?
The InChIKey is SIARGECDHMZKES-ROYWYJAXSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-6-8-20-17(3)25(10-9-18(20)7-2)21(26)19(16-23)15-22(4,5)24-11-13-27-14-12-24/h6-8,15,17H,2,9-14H2,1,3-5H3/b8-6-,19-15+.
What are the key properties of (E)-2-[4-ethenyl-6-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-4-morpholin-4-ylpent-2-enenitrile?
(E)-2-[4-ethenyl-6-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-4-morpholin-4-ylpent-2-enenitrile has a molecular weight of 369.51 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-[4-ethenyl-6-methyl-5-[(Z)-prop-1-enyl]-3,6-dihydro-2H-pyridine-1-carbonyl]-4-methyl-4-morpholin-4-ylpent-2-enenitrile is sourced from PubChem (CID 164531646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).