4-ethyl-4-(5-fluoro-2-pyridinyl)-5-(2-methylpropyl)pyrrolidin-2-one

C15H21FN2O — CID 112586789

IUPAC4-ethyl-4-(5-fluoro-2-pyridinyl)-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCCC1(c2ccc(F)cn2)CC(=O)NC1CC(C)C
InChIInChI=1S/C15H21FN2O/c1-4-15(12-6-5-11(16)9-17-12)8-14(19)18-13(15)7-10(2)3/h5-6,9-10,13H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyJTTRLXXMOYOFQQ-UHFFFAOYSA-N
MW264.34 g/mol
LogP2.80
Rot. Bonds4

About 4-ethyl-4-(5-fluoro-2-pyridinyl)-5-(2-methylpropyl)pyrrolidin-2-one

4-ethyl-4-(5-fluoro-2-pyridinyl)-5-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 112586789) has the molecular formula C15H21FN2O and a molecular weight of 264.34 g/mol. Its IUPAC name is 4-ethyl-4-(5-fluoro-2-pyridinyl)-5-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethyl-4-(5-fluoro-2-pyridinyl)-5-(2-methylpropyl)pyrrolidin-2-one
PubChem CID112586789
Molecular FormulaC15H21FN2O
Molecular Weight264.34 g/mol
Exact Mass264.16
IUPAC Name4-ethyl-4-(5-fluoro-2-pyridinyl)-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCCC1(c2ccc(F)cn2)CC(=O)NC1CC(C)C
InChIInChI=1S/C15H21FN2O/c1-4-15(12-6-5-11(16)9-17-12)8-14(19)18-13(15)7-10(2)3/h5-6,9-10,13H,4,7-8H2,1-3H3,(H,18,19)
InChIKeyJTTRLXXMOYOFQQ-UHFFFAOYSA-N
XLogP2.80
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-(5-fluoro-2-pyridinyl)-5-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-ethyl-4-(5-fluoro-2-pyridinyl)-5-(2-methylpropyl)pyrrolidin-2-one (CID 112586789) is 4-ethyl-4-(5-fluoro-2-pyridinyl)-5-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethyl-4-(5-fluoro-2-pyridinyl)-5-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethyl-4-(5-fluoro-2-pyridinyl)-5-(2-methylpropyl)pyrrolidin-2-one is CCC1(c2ccc(F)cn2)CC(=O)NC1CC(C)C.
What is the InChIKey of 4-ethyl-4-(5-fluoro-2-pyridinyl)-5-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is JTTRLXXMOYOFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O/c1-4-15(12-6-5-11(16)9-17-12)8-14(19)18-13(15)7-10(2)3/h5-6,9-10,13H,4,7-8H2,1-3H3,(H,18,19).
What are the key properties of 4-ethyl-4-(5-fluoro-2-pyridinyl)-5-(2-methylpropyl)pyrrolidin-2-one?
4-ethyl-4-(5-fluoro-2-pyridinyl)-5-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 264.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-(5-fluoro-2-pyridinyl)-5-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 112586789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).