1-[(4Z,6E)-6-fluoronona-4,6,8-trien-2-yl]piperidin-2-one

C14H20FNO — CID 143857856

IUPAC1-[(4Z,6E)-6-fluoronona-4,6,8-trien-2-yl]piperidin-2-one
SMILESC=C/C=C(F)\C=C/CC(C)N1CCCCC1=O
InChIInChI=1S/C14H20FNO/c1-3-7-13(15)9-6-8-12(2)16-11-5-4-10-14(16)17/h3,6-7,9,12H,1,4-5,8,10-11H2,2H3/b9-6-,13-7+
InChIKeyVREASWRWVIVMOD-XGLIJBRHSA-N
MW237.32 g/mol
LogP3.37
Rot. Bonds5

About 1-[(4Z,6E)-6-fluoronona-4,6,8-trien-2-yl]piperidin-2-one

1-[(4Z,6E)-6-fluoronona-4,6,8-trien-2-yl]piperidin-2-one (PubChem CID 143857856) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-[(4Z,6E)-6-fluoronona-4,6,8-trien-2-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[(4Z,6E)-6-fluoronona-4,6,8-trien-2-yl]piperidin-2-one
PubChem CID143857856
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name1-[(4Z,6E)-6-fluoronona-4,6,8-trien-2-yl]piperidin-2-one
SMILESC=C/C=C(F)\C=C/CC(C)N1CCCCC1=O
InChIInChI=1S/C14H20FNO/c1-3-7-13(15)9-6-8-12(2)16-11-5-4-10-14(16)17/h3,6-7,9,12H,1,4-5,8,10-11H2,2H3/b9-6-,13-7+
InChIKeyVREASWRWVIVMOD-XGLIJBRHSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4Z,6E)-6-fluoronona-4,6,8-trien-2-yl]piperidin-2-one?
The IUPAC name of 1-[(4Z,6E)-6-fluoronona-4,6,8-trien-2-yl]piperidin-2-one (CID 143857856) is 1-[(4Z,6E)-6-fluoronona-4,6,8-trien-2-yl]piperidin-2-one.
What is the SMILES notation for 1-[(4Z,6E)-6-fluoronona-4,6,8-trien-2-yl]piperidin-2-one?
The canonical SMILES for 1-[(4Z,6E)-6-fluoronona-4,6,8-trien-2-yl]piperidin-2-one is C=C/C=C(F)\C=C/CC(C)N1CCCCC1=O.
What is the InChIKey of 1-[(4Z,6E)-6-fluoronona-4,6,8-trien-2-yl]piperidin-2-one?
The InChIKey is VREASWRWVIVMOD-XGLIJBRHSA-N. The full InChI is InChI=1S/C14H20FNO/c1-3-7-13(15)9-6-8-12(2)16-11-5-4-10-14(16)17/h3,6-7,9,12H,1,4-5,8,10-11H2,2H3/b9-6-,13-7+.
What are the key properties of 1-[(4Z,6E)-6-fluoronona-4,6,8-trien-2-yl]piperidin-2-one?
1-[(4Z,6E)-6-fluoronona-4,6,8-trien-2-yl]piperidin-2-one has a molecular weight of 237.32 g/mol, XLogP of 3.37, 5 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-trien-2-yl]piperidin-2-one is sourced from PubChem (CID 143857856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).