(4aZ,10E)-5-fluoro-2,3,6,9-tetrahydro-1H-cycloocta[b]pyridin-4-one

C11H12FNO — CID 143751641

IUPAC(4aZ,10E)-5-fluoro-2,3,6,9-tetrahydro-1H-cycloocta[b]pyridin-4-one
SMILESO=C1CCN/C2=C/CC=CC/C(F)=C\12
InChIInChI=1S/C11H12FNO/c12-8-4-2-1-3-5-9-11(8)10(14)6-7-13-9/h1-2,5,13H,3-4,6-7H2/b2-1?,9-5+,11-8-
InChIKeyNZHYYMNLYCTELI-BFJGIHBKSA-N
MW193.22 g/mol
LogP2.01
Rot. Bonds

About (4aZ,10E)-5-fluoro-2,3,6,9-tetrahydro-1H-cycloocta[b]pyridin-4-one

(4aZ,10E)-5-fluoro-2,3,6,9-tetrahydro-1H-cycloocta[b]pyridin-4-one (PubChem CID 143751641) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is (4aZ,10E)-5-fluoro-2,3,6,9-tetrahydro-1H-cycloocta[b]pyridin-4-one.

Molecular Properties

Compound Name(4aZ,10E)-5-fluoro-2,3,6,9-tetrahydro-1H-cycloocta[b]pyridin-4-one
PubChem CID143751641
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name(4aZ,10E)-5-fluoro-2,3,6,9-tetrahydro-1H-cycloocta[b]pyridin-4-one
SMILESO=C1CCN/C2=C/CC=CC/C(F)=C\12
InChIInChI=1S/C11H12FNO/c12-8-4-2-1-3-5-9-11(8)10(14)6-7-13-9/h1-2,5,13H,3-4,6-7H2/b2-1?,9-5+,11-8-
InChIKeyNZHYYMNLYCTELI-BFJGIHBKSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4aZ,10E)-5-fluoro-2,3,6,9-tetrahydro-1H-cycloocta[b]pyridin-4-one with MolForge

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Related Compounds

3-(4-Fluoro-2-methylhepta-3,5-dienylidene)piperidin-4-one
CID 123695996
7-Methyl-1,2,3,7-tetrahydrocyclohepta[b]pyridin-4-one
CID 142873996
(2E,3E)-3-[(Z)-but-2-enylidene]-2-prop-2-enylidenepiperidin-4-one
CID 143107778
(2E,3E)-2-[(Z)-but-2-enylidene]-3-prop-2-enylidenepiperidin-4-one
CID 143107789
acetamide;(4aZ,10E)-5-fluoro-2,3,6,9-tetrahydro-1H-cycloocta[b]pyridin-4-one
CID 143751640
2,3-Di(hexylidene)piperidin-4-one
CID 175319467

Frequently Asked Questions

What is the IUPAC name of (4aZ,10E)-5-fluoro-2,3,6,9-tetrahydro-1H-cycloocta[b]pyridin-4-one?
The IUPAC name of (4aZ,10E)-5-fluoro-2,3,6,9-tetrahydro-1H-cycloocta[b]pyridin-4-one (CID 143751641) is (4aZ,10E)-5-fluoro-2,3,6,9-tetrahydro-1H-cycloocta[b]pyridin-4-one.
What is the SMILES notation for (4aZ,10E)-5-fluoro-2,3,6,9-tetrahydro-1H-cycloocta[b]pyridin-4-one?
The canonical SMILES for (4aZ,10E)-5-fluoro-2,3,6,9-tetrahydro-1H-cycloocta[b]pyridin-4-one is O=C1CCN/C2=C/CC=CC/C(F)=C\12.
What is the InChIKey of (4aZ,10E)-5-fluoro-2,3,6,9-tetrahydro-1H-cycloocta[b]pyridin-4-one?
The InChIKey is NZHYYMNLYCTELI-BFJGIHBKSA-N. The full InChI is InChI=1S/C11H12FNO/c12-8-4-2-1-3-5-9-11(8)10(14)6-7-13-9/h1-2,5,13H,3-4,6-7H2/b2-1?,9-5+,11-8-.
What are the key properties of (4aZ,10E)-5-fluoro-2,3,6,9-tetrahydro-1H-cycloocta[b]pyridin-4-one?
(4aZ,10E)-5-fluoro-2,3,6,9-tetrahydro-1H-cycloocta[b]pyridin-4-one has a molecular weight of 193.22 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aZ,10E)-5-fluoro-2,3,6,9-tetrahydro-1H-cycloocta[b]pyridin-4-one is sourced from PubChem (CID 143751641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).