1-(1-oxodeca-1,3-dien-4-yl)azepan-2-one

C16H25NO2 — CID 57200818

IUPAC1-(1-oxodeca-1,3-dien-4-yl)azepan-2-one
SMILESCCCCCCC(=CC=C=O)N1CCCCCC1=O
InChIInChI=1S/C16H25NO2/c1-2-3-4-6-10-15(11-9-14-18)17-13-8-5-7-12-16(17)19/h9,11H,2-8,10,12-13H2,1H3
InChIKeyWWDATANOXKMNMS-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.63
Rot. Bonds7

About 1-(1-oxodeca-1,3-dien-4-yl)azepan-2-one

1-(1-oxodeca-1,3-dien-4-yl)azepan-2-one (PubChem CID 57200818) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-(1-oxodeca-1,3-dien-4-yl)azepan-2-one.

Molecular Properties

Compound Name1-(1-oxodeca-1,3-dien-4-yl)azepan-2-one
PubChem CID57200818
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-(1-oxodeca-1,3-dien-4-yl)azepan-2-one
SMILESCCCCCCC(=CC=C=O)N1CCCCCC1=O
InChIInChI=1S/C16H25NO2/c1-2-3-4-6-10-15(11-9-14-18)17-13-8-5-7-12-16(17)19/h9,11H,2-8,10,12-13H2,1H3
InChIKeyWWDATANOXKMNMS-UHFFFAOYSA-N
XLogP3.63
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-decanoylpyrrolidin-2-one
CID 11021000
1,8-bis(2-oxoazepan-1-yl)octane-1,8-dione
CID 19994069
1-octadeca-1,3-dien-3-ylpyrrolidin-2-one
CID 175797360
1-nonadec-18-enoylazepan-2-one
CID 19855822
1-[(E)-1-iodooct-1-enyl]pyrrolidin-2-one
CID 134921298
1-[(E)-1-bromooct-1-enyl]pyrrolidin-2-one
CID 134988277
1-[(E)-octadec-9-enyl]azepan-2-one
CID 22476676
1-decylpyrrolidin-2-one;1-dodecylpyrrolidin-2-one;1-heptylpyrrolidin-2-one;1-hexylpyrrolidin-2-one;1-methylazepan-2-one;1-nonylpyrrolidin-2-one;1-octylpyrrolidin-2-one;1-propylazepan-2-one
CID 173181742
1-(hexoxymethyl)azepan-2-one
CID 15346510
1-[(2E,5Z)-octa-2,5-dien-3-yl]pyrrolidin-2-one
CID 143497562
1-acetylazonan-2-one
CID 19035113
ethenyl hexadecanoate;1-methylpyrrolidin-2-one
CID 174931386

Frequently Asked Questions

What is the IUPAC name of 1-(1-oxodeca-1,3-dien-4-yl)azepan-2-one?
The IUPAC name of 1-(1-oxodeca-1,3-dien-4-yl)azepan-2-one (CID 57200818) is 1-(1-oxodeca-1,3-dien-4-yl)azepan-2-one.
What is the SMILES notation for 1-(1-oxodeca-1,3-dien-4-yl)azepan-2-one?
The canonical SMILES for 1-(1-oxodeca-1,3-dien-4-yl)azepan-2-one is CCCCCCC(=CC=C=O)N1CCCCCC1=O.
What is the InChIKey of 1-(1-oxodeca-1,3-dien-4-yl)azepan-2-one?
The InChIKey is WWDATANOXKMNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-3-4-6-10-15(11-9-14-18)17-13-8-5-7-12-16(17)19/h9,11H,2-8,10,12-13H2,1H3.
What are the key properties of 1-(1-oxodeca-1,3-dien-4-yl)azepan-2-one?
1-(1-oxodeca-1,3-dien-4-yl)azepan-2-one has a molecular weight of 263.38 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-oxodeca-1,3-dien-4-yl)azepan-2-one is sourced from PubChem (CID 57200818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).