1-benzyl-3-[(E)-oct-4-en-4-yl]pyridin-2-one

C20H25NO — CID 166439009

IUPAC1-benzyl-3-[(E)-oct-4-en-4-yl]pyridin-2-one
SMILESCCC/C=C(\CCC)c1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H25NO/c1-3-5-13-18(10-4-2)19-14-9-15-21(20(19)22)16-17-11-7-6-8-12-17/h6-9,11-15H,3-5,10,16H2,1-2H3/b18-13+
InChIKeyGPHVQPFAAAZZRG-QGOAFFKASA-N
MW295.43 g/mol
LogP4.88
Rot. Bonds7

About 1-benzyl-3-[(E)-oct-4-en-4-yl]pyridin-2-one

1-benzyl-3-[(E)-oct-4-en-4-yl]pyridin-2-one (PubChem CID 166439009) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1-benzyl-3-[(E)-oct-4-en-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-benzyl-3-[(E)-oct-4-en-4-yl]pyridin-2-one
PubChem CID166439009
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1-benzyl-3-[(E)-oct-4-en-4-yl]pyridin-2-one
SMILESCCC/C=C(\CCC)c1cccn(Cc2ccccc2)c1=O
InChIInChI=1S/C20H25NO/c1-3-5-13-18(10-4-2)19-14-9-15-21(20(19)22)16-17-11-7-6-8-12-17/h6-9,11-15H,3-5,10,16H2,1-2H3/b18-13+
InChIKeyGPHVQPFAAAZZRG-QGOAFFKASA-N
XLogP4.88
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(E)-oct-4-en-4-yl]pyridin-2-one?
The IUPAC name of 1-benzyl-3-[(E)-oct-4-en-4-yl]pyridin-2-one (CID 166439009) is 1-benzyl-3-[(E)-oct-4-en-4-yl]pyridin-2-one.
What is the SMILES notation for 1-benzyl-3-[(E)-oct-4-en-4-yl]pyridin-2-one?
The canonical SMILES for 1-benzyl-3-[(E)-oct-4-en-4-yl]pyridin-2-one is CCC/C=C(\CCC)c1cccn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-3-[(E)-oct-4-en-4-yl]pyridin-2-one?
The InChIKey is GPHVQPFAAAZZRG-QGOAFFKASA-N. The full InChI is InChI=1S/C20H25NO/c1-3-5-13-18(10-4-2)19-14-9-15-21(20(19)22)16-17-11-7-6-8-12-17/h6-9,11-15H,3-5,10,16H2,1-2H3/b18-13+.
What are the key properties of 1-benzyl-3-[(E)-oct-4-en-4-yl]pyridin-2-one?
1-benzyl-3-[(E)-oct-4-en-4-yl]pyridin-2-one has a molecular weight of 295.43 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(E)-oct-4-en-4-yl]pyridin-2-one is sourced from PubChem (CID 166439009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).