1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(2-methoxyethyl)-3,6-dihydro-2H-pyridine

C15H23NO — CID 170728069

IUPAC1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(2-methoxyethyl)-3,6-dihydro-2H-pyridine
SMILESC=C/C=C(\C=C)CN1CC=C(CCOC)CC1
InChIInChI=1S/C15H23NO/c1-4-6-14(5-2)13-16-10-7-15(8-11-16)9-12-17-3/h4-7H,1-2,8-13H2,3H3/b14-6+
InChIKeyBEBFQGJALCYGDO-MKMNVTDBSA-N
MW233.35 g/mol
LogP2.95
Rot. Bonds7

About 1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(2-methoxyethyl)-3,6-dihydro-2H-pyridine

1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(2-methoxyethyl)-3,6-dihydro-2H-pyridine (PubChem CID 170728069) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(2-methoxyethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(2-methoxyethyl)-3,6-dihydro-2H-pyridine
PubChem CID170728069
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(2-methoxyethyl)-3,6-dihydro-2H-pyridine
SMILESC=C/C=C(\C=C)CN1CC=C(CCOC)CC1
InChIInChI=1S/C15H23NO/c1-4-6-14(5-2)13-16-10-7-15(8-11-16)9-12-17-3/h4-7H,1-2,8-13H2,3H3/b14-6+
InChIKeyBEBFQGJALCYGDO-MKMNVTDBSA-N
XLogP2.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(2-methoxyethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(2-methoxyethyl)-3,6-dihydro-2H-pyridine (CID 170728069) is 1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(2-methoxyethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(2-methoxyethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(2-methoxyethyl)-3,6-dihydro-2H-pyridine is C=C/C=C(\C=C)CN1CC=C(CCOC)CC1.
What is the InChIKey of 1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(2-methoxyethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is BEBFQGJALCYGDO-MKMNVTDBSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-6-14(5-2)13-16-10-7-15(8-11-16)9-12-17-3/h4-7H,1-2,8-13H2,3H3/b14-6+.
What are the key properties of 1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(2-methoxyethyl)-3,6-dihydro-2H-pyridine?
1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(2-methoxyethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 233.35 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-ethenylpenta-2,4-dienyl]-4-(2-methoxyethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 170728069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).