1-[(Z)-4-(2-oxo-1-pyridinyl)but-2-enyl]pyridin-2-one

C14H14N2O2 — CID 67920631

IUPAC1-[(Z)-4-(2-oxo-1-pyridinyl)but-2-enyl]pyridin-2-one
SMILESO=c1ccccn1C/C=C\Cn1ccccc1=O
InChIInChI=1S/C14H14N2O2/c17-13-7-1-3-9-15(13)11-5-6-12-16-10-4-2-8-14(16)18/h1-10H,11-12H2/b6-5-
InChIKeyYPDKYHYGDNEUNU-WAYWQWQTSA-N
MW242.28 g/mol
LogP1.27
Rot. Bonds4

About 1-[(Z)-4-(2-oxo-1-pyridinyl)but-2-enyl]pyridin-2-one

1-[(Z)-4-(2-oxo-1-pyridinyl)but-2-enyl]pyridin-2-one (PubChem CID 67920631) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 1-[(Z)-4-(2-oxo-1-pyridinyl)but-2-enyl]pyridin-2-one.

Molecular Properties

Compound Name1-[(Z)-4-(2-oxo-1-pyridinyl)but-2-enyl]pyridin-2-one
PubChem CID67920631
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name1-[(Z)-4-(2-oxo-1-pyridinyl)but-2-enyl]pyridin-2-one
SMILESO=c1ccccn1C/C=C\Cn1ccccc1=O
InChIInChI=1S/C14H14N2O2/c17-13-7-1-3-9-15(13)11-5-6-12-16-10-4-2-8-14(16)18/h1-10H,11-12H2/b6-5-
InChIKeyYPDKYHYGDNEUNU-WAYWQWQTSA-N
XLogP1.27
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloroethyl)pyridin-2-one;hydrochloride
CID 12704874
1-(3,3,3-trifluoro-2-oxopropyl)pyridin-2-one
CID 6421270
2-(2-oxo-1-pyridinyl)ethanethioamide
CID 4913354
1-(2-amino-2-methylpropyl)pyridin-2-one
CID 82144133
1-[[bromo(dimethyl)silyl]methyl]pyridin-2-one
CID 15448274
1-(diethylaminomethyl)pyridin-2-one
CID 18613535
1-[(2-fluorophenyl)methyl]pyridin-2-one
CID 664770
1-(cyclopentylmethyl)pyridin-2-one
CID 115582447
1-(pyridin-4-ylmethyl)pyridin-2-one
CID 112684898
1-[3-[5-(4-fluorophenyl)-2-pyridinyl]prop-2-enyl]pyridin-2-one;2,2,2-trifluoroacetic acid
CID 68821683
1-[(2S)-2-hydroxy-2-phenylethyl]pyridin-2-one
CID 36689704
1-(3-methylbut-3-enyl)pyridin-2-one
CID 114476733

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-4-(2-oxo-1-pyridinyl)but-2-enyl]pyridin-2-one?
The IUPAC name of 1-[(Z)-4-(2-oxo-1-pyridinyl)but-2-enyl]pyridin-2-one (CID 67920631) is 1-[(Z)-4-(2-oxo-1-pyridinyl)but-2-enyl]pyridin-2-one.
What is the SMILES notation for 1-[(Z)-4-(2-oxo-1-pyridinyl)but-2-enyl]pyridin-2-one?
The canonical SMILES for 1-[(Z)-4-(2-oxo-1-pyridinyl)but-2-enyl]pyridin-2-one is O=c1ccccn1C/C=C\Cn1ccccc1=O.
What is the InChIKey of 1-[(Z)-4-(2-oxo-1-pyridinyl)but-2-enyl]pyridin-2-one?
The InChIKey is YPDKYHYGDNEUNU-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-13-7-1-3-9-15(13)11-5-6-12-16-10-4-2-8-14(16)18/h1-10H,11-12H2/b6-5-.
What are the key properties of 1-[(Z)-4-(2-oxo-1-pyridinyl)but-2-enyl]pyridin-2-one?
1-[(Z)-4-(2-oxo-1-pyridinyl)but-2-enyl]pyridin-2-one has a molecular weight of 242.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4-(2-oxo-1-pyridinyl)but-2-enyl]pyridin-2-one is sourced from PubChem (CID 67920631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).