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

C11H14FNO — CID 126768514

IUPACcyclopent-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1CC=CC1)N1CCC=C(F)C1
InChIInChI=1S/C11H14FNO/c12-10-6-3-7-13(8-10)11(14)9-4-1-2-5-9/h1-2,6,9H,3-5,7-8H2
InChIKeyJIORCRBZMXRWQM-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.04
Rot. Bonds1

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

cyclopent-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone (PubChem CID 126768514) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
PubChem CID126768514
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Namecyclopent-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
SMILESO=C(C1CC=CC1)N1CCC=C(F)C1
InChIInChI=1S/C11H14FNO/c12-10-6-3-7-13(8-10)11(14)9-4-1-2-5-9/h1-2,6,9H,3-5,7-8H2
InChIKeyJIORCRBZMXRWQM-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Cyclopent-3-en-1-yl-[3-(2,2-difluoroethyl)azetidin-1-yl]methanone
CID 126794122
1-[4-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-2-methylbutan-1-one
CID 142161962
2-ethyl-4-fluoro-1-[3-[(1Z,3Z)-2-methylpenta-1,3-dienyl]-2,5-dihydropyrrol-1-yl]butan-1-one
CID 170392260
3,6-dihydro-2H-pyridin-1-yl-(2-fluorocyclopropyl)methanone
CID 175807987
cyclohex-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 126770161
Cyclopent-3-en-1-yl-(4,4-difluoro-3-methylpiperidin-1-yl)methanone
CID 126793498
Cyclopent-3-en-1-yl-(3,3-difluoro-4-methylpiperidin-1-yl)methanone
CID 126793625
2-Cyclopent-2-en-1-yl-1-[4-(fluoromethyl)piperidin-1-yl]ethanone
CID 126793923
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone
CID 129348526
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone
CID 129348527
cyclopent-3-en-1-yl-[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]methanone
CID 129349540
cyclopent-3-en-1-yl-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]methanone
CID 129349541

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
The IUPAC name of cyclopent-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone (CID 126768514) is cyclopent-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
The canonical SMILES for cyclopent-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone is O=C(C1CC=CC1)N1CCC=C(F)C1.
What is the InChIKey of cyclopent-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
The InChIKey is JIORCRBZMXRWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-10-6-3-7-13(8-10)11(14)9-4-1-2-5-9/h1-2,6,9H,3-5,7-8H2.
What are the key properties of cyclopent-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone?
cyclopent-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone has a molecular weight of 195.24 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methanone is sourced from PubChem (CID 126768514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).