(5R)-5-(2-amino-4,5-difluorophenyl)pyrrolidin-2-one

C10H10F2N2O — CID 124707701

IUPAC(5R)-5-(2-amino-4,5-difluorophenyl)pyrrolidin-2-one
SMILESNc1cc(F)c(F)cc1[C@H]1CCC(=O)N1
InChIInChI=1S/C10H10F2N2O/c11-6-3-5(8(13)4-7(6)12)9-1-2-10(15)14-9/h3-4,9H,1-2,13H2,(H,14,15)/t9-/m1/s1
InChIKeyMXPDYUSOLNJYMU-SECBINFHSA-N
MW212.20 g/mol
LogP1.50
Rot. Bonds1

About (5R)-5-(2-amino-4,5-difluorophenyl)pyrrolidin-2-one

(5R)-5-(2-amino-4,5-difluorophenyl)pyrrolidin-2-one (PubChem CID 124707701) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is (5R)-5-(2-amino-4,5-difluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(2-amino-4,5-difluorophenyl)pyrrolidin-2-one
PubChem CID124707701
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name(5R)-5-(2-amino-4,5-difluorophenyl)pyrrolidin-2-one
SMILESNc1cc(F)c(F)cc1[C@H]1CCC(=O)N1
InChIInChI=1S/C10H10F2N2O/c11-6-3-5(8(13)4-7(6)12)9-1-2-10(15)14-9/h3-4,9H,1-2,13H2,(H,14,15)/t9-/m1/s1
InChIKeyMXPDYUSOLNJYMU-SECBINFHSA-N
XLogP1.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(2-amino-4,5-difluorophenyl)pyrrolidin-2-one?
The IUPAC name of (5R)-5-(2-amino-4,5-difluorophenyl)pyrrolidin-2-one (CID 124707701) is (5R)-5-(2-amino-4,5-difluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-(2-amino-4,5-difluorophenyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-5-(2-amino-4,5-difluorophenyl)pyrrolidin-2-one is Nc1cc(F)c(F)cc1[C@H]1CCC(=O)N1.
What is the InChIKey of (5R)-5-(2-amino-4,5-difluorophenyl)pyrrolidin-2-one?
The InChIKey is MXPDYUSOLNJYMU-SECBINFHSA-N. The full InChI is InChI=1S/C10H10F2N2O/c11-6-3-5(8(13)4-7(6)12)9-1-2-10(15)14-9/h3-4,9H,1-2,13H2,(H,14,15)/t9-/m1/s1.
What are the key properties of (5R)-5-(2-amino-4,5-difluorophenyl)pyrrolidin-2-one?
(5R)-5-(2-amino-4,5-difluorophenyl)pyrrolidin-2-one has a molecular weight of 212.20 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(2-amino-4,5-difluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 124707701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).