4-amino-1-butyl-5-(2-fluorophenyl)pyrrolidin-2-one

C14H19FN2O — CID 82193210

IUPAC4-amino-1-butyl-5-(2-fluorophenyl)pyrrolidin-2-one
SMILESCCCCN1C(=O)CC(N)C1c1ccccc1F
InChIInChI=1S/C14H19FN2O/c1-2-3-8-17-13(18)9-12(16)14(17)10-6-4-5-7-11(10)15/h4-7,12,14H,2-3,8-9,16H2,1H3
InChIKeyAKEBSRPYOAHSME-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.23
Rot. Bonds4

About 4-amino-1-butyl-5-(2-fluorophenyl)pyrrolidin-2-one

4-amino-1-butyl-5-(2-fluorophenyl)pyrrolidin-2-one (PubChem CID 82193210) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-amino-1-butyl-5-(2-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-butyl-5-(2-fluorophenyl)pyrrolidin-2-one
PubChem CID82193210
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name4-amino-1-butyl-5-(2-fluorophenyl)pyrrolidin-2-one
SMILESCCCCN1C(=O)CC(N)C1c1ccccc1F
InChIInChI=1S/C14H19FN2O/c1-2-3-8-17-13(18)9-12(16)14(17)10-6-4-5-7-11(10)15/h4-7,12,14H,2-3,8-9,16H2,1H3
InChIKeyAKEBSRPYOAHSME-UHFFFAOYSA-N
XLogP2.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-butyl-5-(2-chlorophenyl)pyrrolidin-2-one
CID 82193209
5-amino-1-butyl-6-(2-methoxyphenyl)piperidin-2-one
CID 82193413
4-amino-5-(3,5-difluorophenyl)-1-propylpyrrolidin-2-one
CID 106534351
3-butyl-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one
CID 83237650
(5S)-1-butyl-5-(2-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 7368325
4-benzyl-1-butylazetidin-2-one
CID 86190057
5-amino-1-butyl-6-pyridin-2-ylpiperidin-2-one
CID 82193429
5-amino-1-butyl-6-(4-chlorophenyl)piperidin-2-one
CID 82193409
4-amino-5-(furan-2-yl)-1-(3-methylbutyl)pyrrolidin-2-one
CID 82193266
2-butyl-1-(2-fluorophenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 73261125
4-amino-1-ethyl-5-isoquinolin-4-ylpyrrolidin-2-one
CID 104505155
(2S,3R)-1-dodecyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 99119850

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-butyl-5-(2-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-butyl-5-(2-fluorophenyl)pyrrolidin-2-one (CID 82193210) is 4-amino-1-butyl-5-(2-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-butyl-5-(2-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-butyl-5-(2-fluorophenyl)pyrrolidin-2-one is CCCCN1C(=O)CC(N)C1c1ccccc1F.
What is the InChIKey of 4-amino-1-butyl-5-(2-fluorophenyl)pyrrolidin-2-one?
The InChIKey is AKEBSRPYOAHSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-3-8-17-13(18)9-12(16)14(17)10-6-4-5-7-11(10)15/h4-7,12,14H,2-3,8-9,16H2,1H3.
What are the key properties of 4-amino-1-butyl-5-(2-fluorophenyl)pyrrolidin-2-one?
4-amino-1-butyl-5-(2-fluorophenyl)pyrrolidin-2-one has a molecular weight of 250.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-butyl-5-(2-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 82193210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).