4-ethyl-3-fluoro-5-(2-methylpropyl)pyrrolidin-2-one

C10H18FNO — CID 155329818

IUPAC4-ethyl-3-fluoro-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCCC1C(CC(C)C)NC(=O)C1F
InChIInChI=1S/C10H18FNO/c1-4-7-8(5-6(2)3)12-10(13)9(7)11/h6-9H,4-5H2,1-3H3,(H,12,13)
InChIKeyBWOAGYKCFQWDFH-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.90
Rot. Bonds3

About 4-ethyl-3-fluoro-5-(2-methylpropyl)pyrrolidin-2-one

4-ethyl-3-fluoro-5-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 155329818) has the molecular formula C10H18FNO and a molecular weight of 187.26 g/mol. Its IUPAC name is 4-ethyl-3-fluoro-5-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethyl-3-fluoro-5-(2-methylpropyl)pyrrolidin-2-one
PubChem CID155329818
Molecular FormulaC10H18FNO
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC Name4-ethyl-3-fluoro-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCCC1C(CC(C)C)NC(=O)C1F
InChIInChI=1S/C10H18FNO/c1-4-7-8(5-6(2)3)12-10(13)9(7)11/h6-9H,4-5H2,1-3H3,(H,12,13)
InChIKeyBWOAGYKCFQWDFH-UHFFFAOYSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-fluoro-5-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-ethyl-3-fluoro-5-(2-methylpropyl)pyrrolidin-2-one (CID 155329818) is 4-ethyl-3-fluoro-5-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethyl-3-fluoro-5-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethyl-3-fluoro-5-(2-methylpropyl)pyrrolidin-2-one is CCC1C(CC(C)C)NC(=O)C1F.
What is the InChIKey of 4-ethyl-3-fluoro-5-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is BWOAGYKCFQWDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO/c1-4-7-8(5-6(2)3)12-10(13)9(7)11/h6-9H,4-5H2,1-3H3,(H,12,13).
What are the key properties of 4-ethyl-3-fluoro-5-(2-methylpropyl)pyrrolidin-2-one?
4-ethyl-3-fluoro-5-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 187.26 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-fluoro-5-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 155329818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).