(3R,4S)-1-(3-oxobutyl)-3,4-bis(prop-2-enyl)-3,4-dihydropyridin-2-one

C15H21NO2 — CID 135015529

IUPAC(3R,4S)-1-(3-oxobutyl)-3,4-bis(prop-2-enyl)-3,4-dihydropyridin-2-one
SMILESC=CC[C@H]1C=CN(CCC(C)=O)C(=O)[C@@H]1CC=C
InChIInChI=1S/C15H21NO2/c1-4-6-13-9-11-16(10-8-12(3)17)15(18)14(13)7-5-2/h4-5,9,11,13-14H,1-2,6-8,10H2,3H3/t13-,14+/m0/s1
InChIKeyOWFOQDKTZYBGFL-UONOGXRCSA-N
MW247.34 g/mol
LogP2.71
Rot. Bonds7

About (3R,4S)-1-(3-oxobutyl)-3,4-bis(prop-2-enyl)-3,4-dihydropyridin-2-one

(3R,4S)-1-(3-oxobutyl)-3,4-bis(prop-2-enyl)-3,4-dihydropyridin-2-one (PubChem CID 135015529) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (3R,4S)-1-(3-oxobutyl)-3,4-bis(prop-2-enyl)-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name(3R,4S)-1-(3-oxobutyl)-3,4-bis(prop-2-enyl)-3,4-dihydropyridin-2-one
PubChem CID135015529
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(3R,4S)-1-(3-oxobutyl)-3,4-bis(prop-2-enyl)-3,4-dihydropyridin-2-one
SMILESC=CC[C@H]1C=CN(CCC(C)=O)C(=O)[C@@H]1CC=C
InChIInChI=1S/C15H21NO2/c1-4-6-13-9-11-16(10-8-12(3)17)15(18)14(13)7-5-2/h4-5,9,11,13-14H,1-2,6-8,10H2,3H3/t13-,14+/m0/s1
InChIKeyOWFOQDKTZYBGFL-UONOGXRCSA-N
XLogP2.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.71
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

1-Methyl-4-(2-oxopropyl)-3,4-dihydropyridin-2-one
CID 14396546
(3R,4S)-1-methyl-4-(2-methylbut-3-en-2-yl)-3-prop-2-enyl-3,4-dihydropyridin-2-one
CID 46854022
(4aS,8aR)-2-(3-oxobutyl)-4a,5,8,8a-tetrahydroisoquinolin-1-one
CID 135015255
(3R,4S)-1-(3-hydroxy-3-methylbutyl)-3,4-bis(prop-2-enyl)-3,4-dihydropyridin-2-one
CID 135015530
2-acetyl-N,N-diethyl-2-methylhex-5-enamide
CID 164665712
1-acetyl-2-ethenyl-N,N-diethylcyclopropane-1-carboxamide
CID 13531529
1,4-Ditert-butyl-3,4-dihydropyridin-2-one
CID 58772492
1-(5-Methylhexyl)pyridine-2,4-dione
CID 59434638
1-Azabicyclo[3.2.2]non-6-ene-2,4-dione
CID 69836801
1,4-Diethyl-3,4-dihydropyridin-2-one
CID 88979633
1,4-diethyl-4,5-dihydro-3H-azepin-2-one
CID 91212846
1-(1-acetyl-3,4-dihydro-2H-pyridin-4-yl)ethanone
CID 91422016

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(3-oxobutyl)-3,4-bis(prop-2-enyl)-3,4-dihydropyridin-2-one?
The IUPAC name of (3R,4S)-1-(3-oxobutyl)-3,4-bis(prop-2-enyl)-3,4-dihydropyridin-2-one (CID 135015529) is (3R,4S)-1-(3-oxobutyl)-3,4-bis(prop-2-enyl)-3,4-dihydropyridin-2-one.
What is the SMILES notation for (3R,4S)-1-(3-oxobutyl)-3,4-bis(prop-2-enyl)-3,4-dihydropyridin-2-one?
The canonical SMILES for (3R,4S)-1-(3-oxobutyl)-3,4-bis(prop-2-enyl)-3,4-dihydropyridin-2-one is C=CC[C@H]1C=CN(CCC(C)=O)C(=O)[C@@H]1CC=C.
What is the InChIKey of (3R,4S)-1-(3-oxobutyl)-3,4-bis(prop-2-enyl)-3,4-dihydropyridin-2-one?
The InChIKey is OWFOQDKTZYBGFL-UONOGXRCSA-N. The full InChI is InChI=1S/C15H21NO2/c1-4-6-13-9-11-16(10-8-12(3)17)15(18)14(13)7-5-2/h4-5,9,11,13-14H,1-2,6-8,10H2,3H3/t13-,14+/m0/s1.
What are the key properties of (3R,4S)-1-(3-oxobutyl)-3,4-bis(prop-2-enyl)-3,4-dihydropyridin-2-one?
(3R,4S)-1-(3-oxobutyl)-3,4-bis(prop-2-enyl)-3,4-dihydropyridin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(3-oxobutyl)-3,4-bis(prop-2-enyl)-3,4-dihydropyridin-2-one is sourced from PubChem (CID 135015529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).