2-benzyl-1-propyl-2,3-dihydropyridin-4-one;ethane

C17H25NO — CID 144683049

IUPAC2-benzyl-1-propyl-2,3-dihydropyridin-4-one;ethane
SMILESCC.CCCN1C=CC(=O)CC1Cc1ccccc1
InChIInChI=1S/C15H19NO.C2H6/c1-2-9-16-10-8-15(17)12-14(16)11-13-6-4-3-5-7-13;1-2/h3-8,10,14H,2,9,11-12H2,1H3;1-2H3
InChIKeyDCRLISRDWXIOBI-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.82
Rot. Bonds4

About 2-benzyl-1-propyl-2,3-dihydropyridin-4-one;ethane

2-benzyl-1-propyl-2,3-dihydropyridin-4-one;ethane (PubChem CID 144683049) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-benzyl-1-propyl-2,3-dihydropyridin-4-one;ethane.

Molecular Properties

Compound Name2-benzyl-1-propyl-2,3-dihydropyridin-4-one;ethane
PubChem CID144683049
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-benzyl-1-propyl-2,3-dihydropyridin-4-one;ethane
SMILESCC.CCCN1C=CC(=O)CC1Cc1ccccc1
InChIInChI=1S/C15H19NO.C2H6/c1-2-9-16-10-8-15(17)12-14(16)11-13-6-4-3-5-7-13;1-2/h3-8,10,14H,2,9,11-12H2,1H3;1-2H3
InChIKeyDCRLISRDWXIOBI-UHFFFAOYSA-N
XLogP3.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-benzyl-1-butylazetidin-2-one
CID 86190057
benzyl (2S)-2-benzyl-4-oxo-2,3-dihydropyridine-1-carboxylate
CID 86333985
benzyl (2R)-2-benzyl-4-oxo-2,3-dihydropyridine-1-carboxylate
CID 86333984
1-benzyl-2-propan-2-yl-2,3-dihydropyridin-4-one
CID 12787406
(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
CID 155294169
(2R)-2-benzyl-1-methylaziridine
CID 87174257
1-benzyl-2-(4-methylphenyl)-2,3-dihydropyridin-4-one
CID 10956806
(5R)-5-benzyl-1-methylimidazolidin-2-one
CID 95426077
(5S)-5-benzyl-1-methylimidazolidin-2-one
CID 95426078
(5S)-5-benzyl-1,4-dimethylpiperazine-2,3-dione
CID 139093059
(2S)-2-benzyl-1-propylpiperidine
CID 97355928
2-benzyl-1-nonyl-3-propyl-2H-imidazole
CID 69393422

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-propyl-2,3-dihydropyridin-4-one;ethane?
The IUPAC name of 2-benzyl-1-propyl-2,3-dihydropyridin-4-one;ethane (CID 144683049) is 2-benzyl-1-propyl-2,3-dihydropyridin-4-one;ethane.
What is the SMILES notation for 2-benzyl-1-propyl-2,3-dihydropyridin-4-one;ethane?
The canonical SMILES for 2-benzyl-1-propyl-2,3-dihydropyridin-4-one;ethane is CC.CCCN1C=CC(=O)CC1Cc1ccccc1.
What is the InChIKey of 2-benzyl-1-propyl-2,3-dihydropyridin-4-one;ethane?
The InChIKey is DCRLISRDWXIOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO.C2H6/c1-2-9-16-10-8-15(17)12-14(16)11-13-6-4-3-5-7-13;1-2/h3-8,10,14H,2,9,11-12H2,1H3;1-2H3.
What are the key properties of 2-benzyl-1-propyl-2,3-dihydropyridin-4-one;ethane?
2-benzyl-1-propyl-2,3-dihydropyridin-4-one;ethane has a molecular weight of 259.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-propyl-2,3-dihydropyridin-4-one;ethane is sourced from PubChem (CID 144683049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).