cyclohex-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone

C12H16FNO — CID 126770161

IUPACcyclohex-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCC=C(F)C1
InChIInChI=1S/C12H16FNO/c13-11-7-4-8-14(9-11)12(15)10-5-2-1-3-6-10/h1-2,7,10H,3-6,8-9H2
InChIKeyNADIVOVWCRXRCM-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.43
Rot. Bonds1

About cyclohex-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone

cyclohex-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 126770161) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID126770161
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Namecyclohex-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1CC=CCC1)N1CCC=C(F)C1
InChIInChI=1S/C12H16FNO/c13-11-7-4-8-14(9-11)12(15)10-5-2-1-3-6-10/h1-2,7,10H,3-6,8-9H2
InChIKeyNADIVOVWCRXRCM-UHFFFAOYSA-N
XLogP2.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of cyclohex-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 126770161) is cyclohex-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for cyclohex-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(C1CC=CCC1)N1CCC=C(F)C1.
What is the InChIKey of cyclohex-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is NADIVOVWCRXRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-7-4-8-14(9-11)12(15)10-5-2-1-3-6-10/h1-2,7,10H,3-6,8-9H2.
What are the key properties of cyclohex-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
cyclohex-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 209.26 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 126770161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).