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

C10H11FN2O — CID 53417800

IUPAC4-(4-amino-3-fluorophenyl)pyrrolidin-2-one
SMILESNc1ccc(C2CNC(=O)C2)cc1F
InChIInChI=1S/C10H11FN2O/c11-8-3-6(1-2-9(8)12)7-4-10(14)13-5-7/h1-3,7H,4-5,12H2,(H,13,14)
InChIKeyBCBQDNCUEZQSCJ-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.01
Rot. Bonds1

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

4-(4-amino-3-fluorophenyl)pyrrolidin-2-one (PubChem CID 53417800) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 4-(4-amino-3-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-amino-3-fluorophenyl)pyrrolidin-2-one
PubChem CID53417800
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name4-(4-amino-3-fluorophenyl)pyrrolidin-2-one
SMILESNc1ccc(C2CNC(=O)C2)cc1F
InChIInChI=1S/C10H11FN2O/c11-8-3-6(1-2-9(8)12)7-4-10(14)13-5-7/h1-3,7H,4-5,12H2,(H,13,14)
InChIKeyBCBQDNCUEZQSCJ-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-amino-3-methylphenyl)pyrrolidin-2-one
CID 53417806
(4S)-4-(4-amino-3-ethylphenyl)pyrrolidin-2-one
CID 124634560
4-[4-amino-3-(difluoromethoxy)phenyl]pyrrolidin-2-one
CID 53417791
(4S)-4-(4-acetyl-3-fluorophenyl)pyrrolidin-2-one
CID 124634504
(4S)-4-(3-aminophenyl)pyrrolidin-2-one
CID 86315682
4-(4-cyclopropylphenyl)pyrrolidin-2-one
CID 79978170
(4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71742226
[3-(5-oxopyrrolidin-3-yl)phenyl]azanium
CID 140682404
(4S)-4-(4-chloro-3-methylphenyl)pyrrolidin-2-one
CID 124634608
(4R)-4-[4-chloro-3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 124634597
4-(3-hydroxyphenyl)pyrrolidin-2-one
CID 23345041
4-phenylpyrrolidin-2-one;hydrate
CID 171699854

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-3-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(4-amino-3-fluorophenyl)pyrrolidin-2-one (CID 53417800) is 4-(4-amino-3-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-amino-3-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-amino-3-fluorophenyl)pyrrolidin-2-one is Nc1ccc(C2CNC(=O)C2)cc1F.
What is the InChIKey of 4-(4-amino-3-fluorophenyl)pyrrolidin-2-one?
The InChIKey is BCBQDNCUEZQSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c11-8-3-6(1-2-9(8)12)7-4-10(14)13-5-7/h1-3,7H,4-5,12H2,(H,13,14).
What are the key properties of 4-(4-amino-3-fluorophenyl)pyrrolidin-2-one?
4-(4-amino-3-fluorophenyl)pyrrolidin-2-one has a molecular weight of 194.21 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-3-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 53417800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).