1-[(4Z,6E)-6-fluoronona-4,6,8-trienyl]azepan-2-one

C15H22FNO — CID 143232924

IUPAC1-[(4Z,6E)-6-fluoronona-4,6,8-trienyl]azepan-2-one
SMILESC=C/C=C(F)\C=C/CCCN1CCCCCC1=O
InChIInChI=1S/C15H22FNO/c1-2-9-14(16)10-5-3-7-12-17-13-8-4-6-11-15(17)18/h2,5,9-10H,1,3-4,6-8,11-13H2/b10-5-,14-9+
InChIKeyGGAMZYIYSBQCSA-UJMFUDEJSA-N
MW251.34 g/mol
LogP3.76
Rot. Bonds6

About 1-[(4Z,6E)-6-fluoronona-4,6,8-trienyl]azepan-2-one

1-[(4Z,6E)-6-fluoronona-4,6,8-trienyl]azepan-2-one (PubChem CID 143232924) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-[(4Z,6E)-6-fluoronona-4,6,8-trienyl]azepan-2-one.

Molecular Properties

Compound Name1-[(4Z,6E)-6-fluoronona-4,6,8-trienyl]azepan-2-one
PubChem CID143232924
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-[(4Z,6E)-6-fluoronona-4,6,8-trienyl]azepan-2-one
SMILESC=C/C=C(F)\C=C/CCCN1CCCCCC1=O
InChIInChI=1S/C15H22FNO/c1-2-9-14(16)10-5-3-7-12-17-13-8-4-6-11-15(17)18/h2,5,9-10H,1,3-4,6-8,11-13H2/b10-5-,14-9+
InChIKeyGGAMZYIYSBQCSA-UJMFUDEJSA-N
XLogP3.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 23295884
1-but-3-enylpiperidin-2-one
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1-[(E)-octadec-9-enyl]azepan-2-one
CID 22476676
1-(4-hydroxybutyl)azepan-2-one
CID 43509760
1-(3-chloropropyl)azepan-2-one
CID 14811847
4-(2-oxoazepan-1-yl)butanamide
CID 90945049
1-[(3Z)-3-ethenylhexa-3,5-dienyl]pyrrolidin-2-one
CID 142459323
1-[3-[3-(2-oxopiperidin-1-yl)propoxy]propyl]azepan-2-one
CID 67617562
4-(2-oxopiperidin-1-yl)butanoic acid
CID 12842029
1-(6-bromohexyl)azepan-2-one
CID 71348361
3-(2-oxopyrrolidin-1-yl)propane-1-sulfonic acid
CID 129048427
1-(2-difluoroboranylethyl)piperidin-2-one
CID 123234744

Frequently Asked Questions

What is the IUPAC name of 1-[(4Z,6E)-6-fluoronona-4,6,8-trienyl]azepan-2-one?
The IUPAC name of 1-[(4Z,6E)-6-fluoronona-4,6,8-trienyl]azepan-2-one (CID 143232924) is 1-[(4Z,6E)-6-fluoronona-4,6,8-trienyl]azepan-2-one.
What is the SMILES notation for 1-[(4Z,6E)-6-fluoronona-4,6,8-trienyl]azepan-2-one?
The canonical SMILES for 1-[(4Z,6E)-6-fluoronona-4,6,8-trienyl]azepan-2-one is C=C/C=C(F)\C=C/CCCN1CCCCCC1=O.
What is the InChIKey of 1-[(4Z,6E)-6-fluoronona-4,6,8-trienyl]azepan-2-one?
The InChIKey is GGAMZYIYSBQCSA-UJMFUDEJSA-N. The full InChI is InChI=1S/C15H22FNO/c1-2-9-14(16)10-5-3-7-12-17-13-8-4-6-11-15(17)18/h2,5,9-10H,1,3-4,6-8,11-13H2/b10-5-,14-9+.
What are the key properties of 1-[(4Z,6E)-6-fluoronona-4,6,8-trienyl]azepan-2-one?
1-[(4Z,6E)-6-fluoronona-4,6,8-trienyl]azepan-2-one has a molecular weight of 251.34 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z,6E)-6-fluoronona-4,6,8-trienyl]azepan-2-one is sourced from PubChem (CID 143232924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).