5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1-methyl-2,3-dihydropyridin-6-one

C12H15NO — CID 134490391

IUPAC5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1-methyl-2,3-dihydropyridin-6-one
SMILESC=C/C=C\C1=C(C=C)CCN(C)C1=O
InChIInChI=1S/C12H15NO/c1-4-6-7-11-10(5-2)8-9-13(3)12(11)14/h4-7H,1-2,8-9H2,3H3/b7-6-
InChIKeyWKPDKKWNKYGOJW-SREVYHEPSA-N
MW189.26 g/mol
LogP2.07
Rot. Bonds3

About 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1-methyl-2,3-dihydropyridin-6-one

5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1-methyl-2,3-dihydropyridin-6-one (PubChem CID 134490391) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1-methyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1-methyl-2,3-dihydropyridin-6-one
PubChem CID134490391
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1-methyl-2,3-dihydropyridin-6-one
SMILESC=C/C=C\C1=C(C=C)CCN(C)C1=O
InChIInChI=1S/C12H15NO/c1-4-6-7-11-10(5-2)8-9-13(3)12(11)14/h4-7H,1-2,8-9H2,3H3/b7-6-
InChIKeyWKPDKKWNKYGOJW-SREVYHEPSA-N
XLogP2.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1-methyl-2,3-dihydropyridin-6-one?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1-methyl-2,3-dihydropyridin-6-one (CID 134490391) is 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1-methyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1-methyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1-methyl-2,3-dihydropyridin-6-one is C=C/C=C\C1=C(C=C)CCN(C)C1=O.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1-methyl-2,3-dihydropyridin-6-one?
The InChIKey is WKPDKKWNKYGOJW-SREVYHEPSA-N. The full InChI is InChI=1S/C12H15NO/c1-4-6-7-11-10(5-2)8-9-13(3)12(11)14/h4-7H,1-2,8-9H2,3H3/b7-6-.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1-methyl-2,3-dihydropyridin-6-one?
5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1-methyl-2,3-dihydropyridin-6-one has a molecular weight of 189.26 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-4-ethenyl-1-methyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 134490391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).