1-methyl-6-[(E)-oct-4-en-4-yl]pyridin-2-one

C14H21NO — CID 102590292

IUPAC1-methyl-6-[(E)-oct-4-en-4-yl]pyridin-2-one
SMILESCCC/C=C(\CCC)c1cccc(=O)n1C
InChIInChI=1S/C14H21NO/c1-4-6-9-12(8-5-2)13-10-7-11-14(16)15(13)3/h7,9-11H,4-6,8H2,1-3H3/b12-9+
InChIKeyBTZYZZWSQCHTFW-FMIVXFBMSA-N
MW219.33 g/mol
LogP3.37
Rot. Bonds5

About 1-methyl-6-[(E)-oct-4-en-4-yl]pyridin-2-one

1-methyl-6-[(E)-oct-4-en-4-yl]pyridin-2-one (PubChem CID 102590292) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-methyl-6-[(E)-oct-4-en-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-6-[(E)-oct-4-en-4-yl]pyridin-2-one
PubChem CID102590292
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-methyl-6-[(E)-oct-4-en-4-yl]pyridin-2-one
SMILESCCC/C=C(\CCC)c1cccc(=O)n1C
InChIInChI=1S/C14H21NO/c1-4-6-9-12(8-5-2)13-10-7-11-14(16)15(13)3/h7,9-11H,4-6,8H2,1-3H3/b12-9+
InChIKeyBTZYZZWSQCHTFW-FMIVXFBMSA-N
XLogP3.37
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(E)-oct-4-en-4-yl]pyridin-2-one?
The IUPAC name of 1-methyl-6-[(E)-oct-4-en-4-yl]pyridin-2-one (CID 102590292) is 1-methyl-6-[(E)-oct-4-en-4-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-6-[(E)-oct-4-en-4-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-6-[(E)-oct-4-en-4-yl]pyridin-2-one is CCC/C=C(\CCC)c1cccc(=O)n1C.
What is the InChIKey of 1-methyl-6-[(E)-oct-4-en-4-yl]pyridin-2-one?
The InChIKey is BTZYZZWSQCHTFW-FMIVXFBMSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-6-9-12(8-5-2)13-10-7-11-14(16)15(13)3/h7,9-11H,4-6,8H2,1-3H3/b12-9+.
What are the key properties of 1-methyl-6-[(E)-oct-4-en-4-yl]pyridin-2-one?
1-methyl-6-[(E)-oct-4-en-4-yl]pyridin-2-one has a molecular weight of 219.33 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(E)-oct-4-en-4-yl]pyridin-2-one is sourced from PubChem (CID 102590292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).