(5R)-1-(3-aminophenyl)-5-(trifluoromethyl)pyrrolidin-2-one

C11H11F3N2O — CID 129379960

IUPAC(5R)-1-(3-aminophenyl)-5-(trifluoromethyl)pyrrolidin-2-one
SMILESNc1cccc(N2C(=O)CC[C@@H]2C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)9-4-5-10(17)16(9)8-3-1-2-7(15)6-8/h1-3,6,9H,4-5,15H2/t9-/m1/s1
InChIKeyJUFQGOFSCMMUKG-SECBINFHSA-N
MW244.22 g/mol
LogP2.33
Rot. Bonds1

About (5R)-1-(3-aminophenyl)-5-(trifluoromethyl)pyrrolidin-2-one

(5R)-1-(3-aminophenyl)-5-(trifluoromethyl)pyrrolidin-2-one (PubChem CID 129379960) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is (5R)-1-(3-aminophenyl)-5-(trifluoromethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-1-(3-aminophenyl)-5-(trifluoromethyl)pyrrolidin-2-one
PubChem CID129379960
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name(5R)-1-(3-aminophenyl)-5-(trifluoromethyl)pyrrolidin-2-one
SMILESNc1cccc(N2C(=O)CC[C@@H]2C(F)(F)F)c1
InChIInChI=1S/C11H11F3N2O/c12-11(13,14)9-4-5-10(17)16(9)8-3-1-2-7(15)6-8/h1-3,6,9H,4-5,15H2/t9-/m1/s1
InChIKeyJUFQGOFSCMMUKG-SECBINFHSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.33
H-Bond Donors ≤ 51
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)-1-(3-aminophenyl)-5-(trifluoromethyl)pyrrolidin-2-one?
The IUPAC name of (5R)-1-(3-aminophenyl)-5-(trifluoromethyl)pyrrolidin-2-one (CID 129379960) is (5R)-1-(3-aminophenyl)-5-(trifluoromethyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-1-(3-aminophenyl)-5-(trifluoromethyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-1-(3-aminophenyl)-5-(trifluoromethyl)pyrrolidin-2-one is Nc1cccc(N2C(=O)CC[C@@H]2C(F)(F)F)c1.
What is the InChIKey of (5R)-1-(3-aminophenyl)-5-(trifluoromethyl)pyrrolidin-2-one?
The InChIKey is JUFQGOFSCMMUKG-SECBINFHSA-N. The full InChI is InChI=1S/C11H11F3N2O/c12-11(13,14)9-4-5-10(17)16(9)8-3-1-2-7(15)6-8/h1-3,6,9H,4-5,15H2/t9-/m1/s1.
What are the key properties of (5R)-1-(3-aminophenyl)-5-(trifluoromethyl)pyrrolidin-2-one?
(5R)-1-(3-aminophenyl)-5-(trifluoromethyl)pyrrolidin-2-one has a molecular weight of 244.22 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(3-aminophenyl)-5-(trifluoromethyl)pyrrolidin-2-one is sourced from PubChem (CID 129379960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).