1-ethyl-5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyridin-2-one

C12H17FN2O — CID 155374676

IUPAC1-ethyl-5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyridin-2-one
SMILESCCn1cc(CN2CC[C@@H](F)C2)ccc1=O
InChIInChI=1S/C12H17FN2O/c1-2-15-8-10(3-4-12(15)16)7-14-6-5-11(13)9-14/h3-4,8,11H,2,5-7,9H2,1H3/t11-/m1/s1
InChIKeyISUNWSJSZZLPFA-LLVKDONJSA-N
MW224.28 g/mol
LogP1.41
Rot. Bonds3

About 1-ethyl-5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyridin-2-one

1-ethyl-5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyridin-2-one (PubChem CID 155374676) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-ethyl-5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyridin-2-one
PubChem CID155374676
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-ethyl-5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyridin-2-one
SMILESCCn1cc(CN2CC[C@@H](F)C2)ccc1=O
InChIInChI=1S/C12H17FN2O/c1-2-15-8-10(3-4-12(15)16)7-14-6-5-11(13)9-14/h3-4,8,11H,2,5-7,9H2,1H3/t11-/m1/s1
InChIKeyISUNWSJSZZLPFA-LLVKDONJSA-N
XLogP1.41
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyridin-2-one?
The IUPAC name of 1-ethyl-5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyridin-2-one (CID 155374676) is 1-ethyl-5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyridin-2-one is CCn1cc(CN2CC[C@@H](F)C2)ccc1=O.
What is the InChIKey of 1-ethyl-5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyridin-2-one?
The InChIKey is ISUNWSJSZZLPFA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-2-15-8-10(3-4-12(15)16)7-14-6-5-11(13)9-14/h3-4,8,11H,2,5-7,9H2,1H3/t11-/m1/s1.
What are the key properties of 1-ethyl-5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyridin-2-one?
1-ethyl-5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyridin-2-one has a molecular weight of 224.28 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]pyridin-2-one is sourced from PubChem (CID 155374676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).