4-ethyl-3-fluoro-1-(hydroxymethyl)-5-propan-2-ylpyrrolidin-2-one

C10H18FNO2 — CID 155581757

IUPAC4-ethyl-3-fluoro-1-(hydroxymethyl)-5-propan-2-ylpyrrolidin-2-one
SMILESCCC1C(F)C(=O)N(CO)C1C(C)C
InChIInChI=1S/C10H18FNO2/c1-4-7-8(11)10(14)12(5-13)9(7)6(2)3/h6-9,13H,4-5H2,1-3H3
InChIKeyMESSWXBVIHTUPG-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.17
Rot. Bonds3

About 4-ethyl-3-fluoro-1-(hydroxymethyl)-5-propan-2-ylpyrrolidin-2-one

4-ethyl-3-fluoro-1-(hydroxymethyl)-5-propan-2-ylpyrrolidin-2-one (PubChem CID 155581757) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 4-ethyl-3-fluoro-1-(hydroxymethyl)-5-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-ethyl-3-fluoro-1-(hydroxymethyl)-5-propan-2-ylpyrrolidin-2-one
PubChem CID155581757
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name4-ethyl-3-fluoro-1-(hydroxymethyl)-5-propan-2-ylpyrrolidin-2-one
SMILESCCC1C(F)C(=O)N(CO)C1C(C)C
InChIInChI=1S/C10H18FNO2/c1-4-7-8(11)10(14)12(5-13)9(7)6(2)3/h6-9,13H,4-5H2,1-3H3
InChIKeyMESSWXBVIHTUPG-UHFFFAOYSA-N
XLogP1.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-fluoro-1-(hydroxymethyl)-5-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-ethyl-3-fluoro-1-(hydroxymethyl)-5-propan-2-ylpyrrolidin-2-one (CID 155581757) is 4-ethyl-3-fluoro-1-(hydroxymethyl)-5-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-ethyl-3-fluoro-1-(hydroxymethyl)-5-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-ethyl-3-fluoro-1-(hydroxymethyl)-5-propan-2-ylpyrrolidin-2-one is CCC1C(F)C(=O)N(CO)C1C(C)C.
What is the InChIKey of 4-ethyl-3-fluoro-1-(hydroxymethyl)-5-propan-2-ylpyrrolidin-2-one?
The InChIKey is MESSWXBVIHTUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-4-7-8(11)10(14)12(5-13)9(7)6(2)3/h6-9,13H,4-5H2,1-3H3.
What are the key properties of 4-ethyl-3-fluoro-1-(hydroxymethyl)-5-propan-2-ylpyrrolidin-2-one?
4-ethyl-3-fluoro-1-(hydroxymethyl)-5-propan-2-ylpyrrolidin-2-one has a molecular weight of 203.26 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-fluoro-1-(hydroxymethyl)-5-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 155581757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).