4,5-diethyl-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one

C13H17FN2O — CID 112586788

IUPAC4,5-diethyl-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one
SMILESCCC1NC(=O)CC1(CC)c1ccc(F)cn1
InChIInChI=1S/C13H17FN2O/c1-3-10-13(4-2,7-12(17)16-10)11-6-5-9(14)8-15-11/h5-6,8,10H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyQIMFLZXJBMWKOI-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.17
Rot. Bonds3

About 4,5-diethyl-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one

4,5-diethyl-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one (PubChem CID 112586788) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 4,5-diethyl-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4,5-diethyl-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one
PubChem CID112586788
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name4,5-diethyl-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one
SMILESCCC1NC(=O)CC1(CC)c1ccc(F)cn1
InChIInChI=1S/C13H17FN2O/c1-3-10-13(4-2,7-12(17)16-10)11-6-5-9(14)8-15-11/h5-6,8,10H,3-4,7H2,1-2H3,(H,16,17)
InChIKeyQIMFLZXJBMWKOI-UHFFFAOYSA-N
XLogP2.17
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-4-(5-fluoro-2-pyridinyl)-5-(2-methylpropyl)pyrrolidin-2-one
CID 112586789
4-ethyl-4-(5-fluoro-2-pyridinyl)azetidin-2-one
CID 112586653
4-(5-fluoro-2-pyridinyl)-4,5-dimethylpyrrolidin-2-one
CID 83128324
2-cyclopropylimino-5-ethyl-5-(5-fluoro-2-pyridinyl)imidazolidin-4-one
CID 136925050
2-ethyl-1-(5-fluoro-2-pyridinyl)cyclopropan-1-amine
CID 79718780
2-amino-4-ethyl-4-(5-fluoro-2-pyridinyl)-1H-imidazol-5-one
CID 112586926
ethyl 3-ethyl-3-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 105360291
5-ethyl-4-[(3-fluorophenyl)methyl]-4-methylpyrrolidin-2-one
CID 114834972
3-ethyl-4-(5-fluoropyridine-2-carbonyl)piperazine-2,6-dione
CID 104639186
3-(5-fluoro-2-pyridinyl)-8-oxo-8λ4-thiabicyclo[3.2.1]octan-3-ol
CID 171964652
5-ethyl-5-(5-fluoro-2-pyridinyl)-2-propan-2-yliminoimidazolidin-4-one
CID 136925049
(4-ethylcyclohexyl)-(5-fluoro-2-pyridinyl)methanone
CID 79723336

Frequently Asked Questions

What is the IUPAC name of 4,5-diethyl-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one?
The IUPAC name of 4,5-diethyl-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one (CID 112586788) is 4,5-diethyl-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one.
What is the SMILES notation for 4,5-diethyl-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one?
The canonical SMILES for 4,5-diethyl-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one is CCC1NC(=O)CC1(CC)c1ccc(F)cn1.
What is the InChIKey of 4,5-diethyl-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one?
The InChIKey is QIMFLZXJBMWKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-3-10-13(4-2,7-12(17)16-10)11-6-5-9(14)8-15-11/h5-6,8,10H,3-4,7H2,1-2H3,(H,16,17).
What are the key properties of 4,5-diethyl-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one?
4,5-diethyl-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one has a molecular weight of 236.29 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diethyl-4-(5-fluoro-2-pyridinyl)pyrrolidin-2-one is sourced from PubChem (CID 112586788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).