3-(2-amino-5-fluorophenoxy)pyrrolidin-2-one

C10H11FN2O2 — CID 117095532

IUPAC3-(2-amino-5-fluorophenoxy)pyrrolidin-2-one
SMILESNc1ccc(F)cc1OC1CCNC1=O
InChIInChI=1S/C10H11FN2O2/c11-6-1-2-7(12)9(5-6)15-8-3-4-13-10(8)14/h1-2,5,8H,3-4,12H2,(H,13,14)
InChIKeySSCMECFDUTVUOS-UHFFFAOYSA-N
MW210.21 g/mol
LogP0.68
Rot. Bonds2

About 3-(2-amino-5-fluorophenoxy)pyrrolidin-2-one

3-(2-amino-5-fluorophenoxy)pyrrolidin-2-one (PubChem CID 117095532) has the molecular formula C10H11FN2O2 and a molecular weight of 210.21 g/mol. Its IUPAC name is 3-(2-amino-5-fluorophenoxy)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-amino-5-fluorophenoxy)pyrrolidin-2-one
PubChem CID117095532
Molecular FormulaC10H11FN2O2
Molecular Weight210.21 g/mol
Exact Mass210.08
IUPAC Name3-(2-amino-5-fluorophenoxy)pyrrolidin-2-one
SMILESNc1ccc(F)cc1OC1CCNC1=O
InChIInChI=1S/C10H11FN2O2/c11-6-1-2-7(12)9(5-6)15-8-3-4-13-10(8)14/h1-2,5,8H,3-4,12H2,(H,13,14)
InChIKeySSCMECFDUTVUOS-UHFFFAOYSA-N
XLogP0.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-fluorophenoxy)pyrrolidin-2-one?
The IUPAC name of 3-(2-amino-5-fluorophenoxy)pyrrolidin-2-one (CID 117095532) is 3-(2-amino-5-fluorophenoxy)pyrrolidin-2-one.
What is the SMILES notation for 3-(2-amino-5-fluorophenoxy)pyrrolidin-2-one?
The canonical SMILES for 3-(2-amino-5-fluorophenoxy)pyrrolidin-2-one is Nc1ccc(F)cc1OC1CCNC1=O.
What is the InChIKey of 3-(2-amino-5-fluorophenoxy)pyrrolidin-2-one?
The InChIKey is SSCMECFDUTVUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O2/c11-6-1-2-7(12)9(5-6)15-8-3-4-13-10(8)14/h1-2,5,8H,3-4,12H2,(H,13,14).
What are the key properties of 3-(2-amino-5-fluorophenoxy)pyrrolidin-2-one?
3-(2-amino-5-fluorophenoxy)pyrrolidin-2-one has a molecular weight of 210.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-fluorophenoxy)pyrrolidin-2-one is sourced from PubChem (CID 117095532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).