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

C10H12FNO — CID 131187056

IUPAC3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)cyclopent-2-en-1-one
SMILESO=C1C=C(N2CCC=C(F)C2)CC1
InChIInChI=1S/C10H12FNO/c11-8-2-1-5-12(7-8)9-3-4-10(13)6-9/h2,6H,1,3-5,7H2
InChIKeyPJZMEYBLCPCKGC-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.79
Rot. Bonds1

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

3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)cyclopent-2-en-1-one (PubChem CID 131187056) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)cyclopent-2-en-1-one
PubChem CID131187056
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)cyclopent-2-en-1-one
SMILESO=C1C=C(N2CCC=C(F)C2)CC1
InChIInChI=1S/C10H12FNO/c11-8-2-1-5-12(7-8)9-3-4-10(13)6-9/h2,6H,1,3-5,7H2
InChIKeyPJZMEYBLCPCKGC-UHFFFAOYSA-N
XLogP1.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Pyrrolidin-1-yl)cyclohex-2-en-1-one
CID 273496
3-(Pyrrolidin-1-yl)cyclopent-2-en-1-one
CID 273498
3-Dimethyl-aminocyclopent-2-enone
CID 57659856
3-[Methyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787736
3-[Ethyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787838
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787842
3-[Propyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787843
3-[Propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787844
3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]cyclopent-2-en-1-one
CID 104787890
3-[Methyl(3,3,3-trifluoropropyl)amino]cyclopent-2-en-1-one
CID 104787967
3-[3-(Trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one
CID 104787968
3-[4-(Trifluoromethyl)piperidin-1-yl]cyclopent-2-en-1-one
CID 104787969

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)cyclopent-2-en-1-one?
The IUPAC name of 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)cyclopent-2-en-1-one (CID 131187056) is 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)cyclopent-2-en-1-one is O=C1C=C(N2CCC=C(F)C2)CC1.
What is the InChIKey of 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)cyclopent-2-en-1-one?
The InChIKey is PJZMEYBLCPCKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-8-2-1-5-12(7-8)9-3-4-10(13)6-9/h2,6H,1,3-5,7H2.
What are the key properties of 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)cyclopent-2-en-1-one?
3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)cyclopent-2-en-1-one has a molecular weight of 181.21 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 131187056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).