(5S)-5-(3-amino-4-fluorophenyl)pyrrolidin-2-one

C10H11FN2O — CID 130722460

IUPAC(5S)-5-(3-amino-4-fluorophenyl)pyrrolidin-2-one
SMILESNc1cc([C@@H]2CCC(=O)N2)ccc1F
InChIInChI=1S/C10H11FN2O/c11-7-2-1-6(5-8(7)12)9-3-4-10(14)13-9/h1-2,5,9H,3-4,12H2,(H,13,14)/t9-/m0/s1
InChIKeyAZDITNRQJCDPLG-VIFPVBQESA-N
MW194.21 g/mol
LogP1.36
Rot. Bonds1

About (5S)-5-(3-amino-4-fluorophenyl)pyrrolidin-2-one

(5S)-5-(3-amino-4-fluorophenyl)pyrrolidin-2-one (PubChem CID 130722460) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is (5S)-5-(3-amino-4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(3-amino-4-fluorophenyl)pyrrolidin-2-one
PubChem CID130722460
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name(5S)-5-(3-amino-4-fluorophenyl)pyrrolidin-2-one
SMILESNc1cc([C@@H]2CCC(=O)N2)ccc1F
InChIInChI=1S/C10H11FN2O/c11-7-2-1-6(5-8(7)12)9-3-4-10(14)13-9/h1-2,5,9H,3-4,12H2,(H,13,14)/t9-/m0/s1
InChIKeyAZDITNRQJCDPLG-VIFPVBQESA-N
XLogP1.36
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.36
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 (5S)-5-(3-amino-4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-(3-amino-4-fluorophenyl)pyrrolidin-2-one (CID 130722460) is (5S)-5-(3-amino-4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(3-amino-4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-(3-amino-4-fluorophenyl)pyrrolidin-2-one is Nc1cc([C@@H]2CCC(=O)N2)ccc1F.
What is the InChIKey of (5S)-5-(3-amino-4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is AZDITNRQJCDPLG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11FN2O/c11-7-2-1-6(5-8(7)12)9-3-4-10(14)13-9/h1-2,5,9H,3-4,12H2,(H,13,14)/t9-/m0/s1.
What are the key properties of (5S)-5-(3-amino-4-fluorophenyl)pyrrolidin-2-one?
(5S)-5-(3-amino-4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 194.21 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3-amino-4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 130722460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).