5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one

C14H20F2N2O — CID 146182805

IUPAC5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(CCN2CCC(F)(F)C2)ccc1=O
InChIInChI=1S/C14H20F2N2O/c1-11(2)18-9-12(3-4-13(18)19)5-7-17-8-6-14(15,16)10-17/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyCDPSDFXRZBARIM-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.31
Rot. Bonds4

About 5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one

5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one (PubChem CID 146182805) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one
PubChem CID146182805
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(CCN2CCC(F)(F)C2)ccc1=O
InChIInChI=1S/C14H20F2N2O/c1-11(2)18-9-12(3-4-13(18)19)5-7-17-8-6-14(15,16)10-17/h3-4,9,11H,5-8,10H2,1-2H3
InChIKeyCDPSDFXRZBARIM-UHFFFAOYSA-N
XLogP2.31
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-Oxo-2-pyrrolidin-1-ylethyl)-5-(trifluoromethyl)pyridin-2-one
CID 8894181
1-Methyl-5-(1-methyl-2-pyrrolidinyl)-2(1h)-pyridone
CID 102474190
1-(2-Methylidenebutyl)-5-(trifluoromethyl)pyridin-2-one
CID 57985838
6-methyl-7-(trifluoromethyl)-2,3-dihydro-1H-indolizin-5-one
CID 59284256
1-Propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 84314129
5-Ethyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 89969605
5-(Difluoromethyl)-1-(3-methylideneocta-4,6-dien-4-yl)pyridin-2-one
CID 91164440
1-fluoro-6,8-dimethyl-2,3-dihydro-1H-indolizin-5-one
CID 122633271
1,1-Difluoro-6,8-dimethyl-2,3-dihydroindolizin-5-one
CID 122633273
1,1-Difluoro-6-methyl-2,3-dihydroindolizin-5-one
CID 122633859
1,1-Difluoro-6-methyl-8-propan-2-yl-2,3-dihydroindolizin-5-one
CID 126608812
8-Ethyl-1,1-difluoro-6-methyl-2,3-dihydroindolizin-5-one
CID 126611910

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one (CID 146182805) is 5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one is CC(C)n1cc(CCN2CCC(F)(F)C2)ccc1=O.
What is the InChIKey of 5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one?
The InChIKey is CDPSDFXRZBARIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-11(2)18-9-12(3-4-13(18)19)5-7-17-8-6-14(15,16)10-17/h3-4,9,11H,5-8,10H2,1-2H3.
What are the key properties of 5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one?
5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one has a molecular weight of 270.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 146182805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).