(2S,5R)-2-benzyl-5-butyl-2,5-dihydro-1H-pyridin-6-one

C16H21NO — CID 11195903

IUPAC(2S,5R)-2-benzyl-5-butyl-2,5-dihydro-1H-pyridin-6-one
SMILESCCCC[C@@H]1C=C[C@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C16H21NO/c1-2-3-9-14-10-11-15(17-16(14)18)12-13-7-5-4-6-8-13/h4-8,10-11,14-15H,2-3,9,12H2,1H3,(H,17,18)/t14-,15-/m1/s1
InChIKeyUOIHQZMAQYXZRI-HUUCEWRRSA-N
MW243.35 g/mol
LogP3.09
Rot. Bonds5

About (2S,5R)-2-benzyl-5-butyl-2,5-dihydro-1H-pyridin-6-one

(2S,5R)-2-benzyl-5-butyl-2,5-dihydro-1H-pyridin-6-one (PubChem CID 11195903) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (2S,5R)-2-benzyl-5-butyl-2,5-dihydro-1H-pyridin-6-one.

Molecular Properties

Compound Name(2S,5R)-2-benzyl-5-butyl-2,5-dihydro-1H-pyridin-6-one
PubChem CID11195903
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(2S,5R)-2-benzyl-5-butyl-2,5-dihydro-1H-pyridin-6-one
SMILESCCCC[C@@H]1C=C[C@H](Cc2ccccc2)NC1=O
InChIInChI=1S/C16H21NO/c1-2-3-9-14-10-11-15(17-16(14)18)12-13-7-5-4-6-8-13/h4-8,10-11,14-15H,2-3,9,12H2,1H3,(H,17,18)/t14-,15-/m1/s1
InChIKeyUOIHQZMAQYXZRI-HUUCEWRRSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 70511969
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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-benzyl-5-butyl-2,5-dihydro-1H-pyridin-6-one?
The IUPAC name of (2S,5R)-2-benzyl-5-butyl-2,5-dihydro-1H-pyridin-6-one (CID 11195903) is (2S,5R)-2-benzyl-5-butyl-2,5-dihydro-1H-pyridin-6-one.
What is the SMILES notation for (2S,5R)-2-benzyl-5-butyl-2,5-dihydro-1H-pyridin-6-one?
The canonical SMILES for (2S,5R)-2-benzyl-5-butyl-2,5-dihydro-1H-pyridin-6-one is CCCC[C@@H]1C=C[C@H](Cc2ccccc2)NC1=O.
What is the InChIKey of (2S,5R)-2-benzyl-5-butyl-2,5-dihydro-1H-pyridin-6-one?
The InChIKey is UOIHQZMAQYXZRI-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H21NO/c1-2-3-9-14-10-11-15(17-16(14)18)12-13-7-5-4-6-8-13/h4-8,10-11,14-15H,2-3,9,12H2,1H3,(H,17,18)/t14-,15-/m1/s1.
What are the key properties of (2S,5R)-2-benzyl-5-butyl-2,5-dihydro-1H-pyridin-6-one?
(2S,5R)-2-benzyl-5-butyl-2,5-dihydro-1H-pyridin-6-one has a molecular weight of 243.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-benzyl-5-butyl-2,5-dihydro-1H-pyridin-6-one is sourced from PubChem (CID 11195903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).