1-[(Z)-hex-4-enoyl]-2,3-dihydropyridin-4-one

C11H15NO2 — CID 122375673

IUPAC1-[(Z)-hex-4-enoyl]-2,3-dihydropyridin-4-one
SMILESC/C=C\CCC(=O)N1C=CC(=O)CC1
InChIInChI=1S/C11H15NO2/c1-2-3-4-5-11(14)12-8-6-10(13)7-9-12/h2-3,6,8H,4-5,7,9H2,1H3/b3-2-
InChIKeyQVZRHJBLBYDUOC-IHWYPQMZSA-N
MW193.25 g/mol
LogP1.66
Rot. Bonds3

About 1-[(Z)-hex-4-enoyl]-2,3-dihydropyridin-4-one

1-[(Z)-hex-4-enoyl]-2,3-dihydropyridin-4-one (PubChem CID 122375673) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-[(Z)-hex-4-enoyl]-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1-[(Z)-hex-4-enoyl]-2,3-dihydropyridin-4-one
PubChem CID122375673
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-[(Z)-hex-4-enoyl]-2,3-dihydropyridin-4-one
SMILESC/C=C\CCC(=O)N1C=CC(=O)CC1
InChIInChI=1S/C11H15NO2/c1-2-3-4-5-11(14)12-8-6-10(13)7-9-12/h2-3,6,8H,4-5,7,9H2,1H3/b3-2-
InChIKeyQVZRHJBLBYDUOC-IHWYPQMZSA-N
XLogP1.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-3-acetyl-2-pyridone
CID 82526873
1-Acetyl-2,3-dihydropyridin-4-one
CID 17774845
6-Methyl-1-propyl-1,2,3,4-tetrahydropyridine-2,4-dione
CID 66490089
1-[(E)-hex-4-enoyl]-2,3-dihydropyridin-4-one
CID 122375671
1-Pent-4-enoyl-2,3-dihydropyridin-4-one
CID 122375672
1-Acetyl-2-ethyl-2,3-dihydropyridin-4-one
CID 15414721
1-Acetyl-2-methyl-2,3-dihydropyridin-4-one
CID 18711297
1-Tert-butylpyridine-2,4-dione
CID 58468586
1-Ethyl-2-(2-oxopropyl)pyridin-4-one
CID 70631361
3-Acetyl-1-propylpyridin-2-one
CID 82526944
1-Acetyl-2-methyl-2,3-dihydropyridin-4-one;ethane
CID 90857389
2-Methyl-1-(2-methylbutanoyl)pyridin-4-one
CID 140142176

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-hex-4-enoyl]-2,3-dihydropyridin-4-one?
The IUPAC name of 1-[(Z)-hex-4-enoyl]-2,3-dihydropyridin-4-one (CID 122375673) is 1-[(Z)-hex-4-enoyl]-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1-[(Z)-hex-4-enoyl]-2,3-dihydropyridin-4-one?
The canonical SMILES for 1-[(Z)-hex-4-enoyl]-2,3-dihydropyridin-4-one is C/C=C\CCC(=O)N1C=CC(=O)CC1.
What is the InChIKey of 1-[(Z)-hex-4-enoyl]-2,3-dihydropyridin-4-one?
The InChIKey is QVZRHJBLBYDUOC-IHWYPQMZSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-3-4-5-11(14)12-8-6-10(13)7-9-12/h2-3,6,8H,4-5,7,9H2,1H3/b3-2-.
What are the key properties of 1-[(Z)-hex-4-enoyl]-2,3-dihydropyridin-4-one?
1-[(Z)-hex-4-enoyl]-2,3-dihydropyridin-4-one has a molecular weight of 193.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-hex-4-enoyl]-2,3-dihydropyridin-4-one is sourced from PubChem (CID 122375673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).