4-amino-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-one

C12H15FN2O2 — CID 82159314

IUPAC4-amino-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(F)cc1CN1CC(N)CC1=O
InChIInChI=1S/C12H15FN2O2/c1-17-11-3-2-9(13)4-8(11)6-15-7-10(14)5-12(15)16/h2-4,10H,5-7,14H2,1H3
InChIKeyWEGLJYNWMLFAEF-UHFFFAOYSA-N
MW238.26 g/mol
LogP0.89
Rot. Bonds3

About 4-amino-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-one

4-amino-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 82159314) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is 4-amino-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID82159314
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name4-amino-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1ccc(F)cc1CN1CC(N)CC1=O
InChIInChI=1S/C12H15FN2O2/c1-17-11-3-2-9(13)4-8(11)6-15-7-10(14)5-12(15)16/h2-4,10H,5-7,14H2,1H3
InChIKeyWEGLJYNWMLFAEF-UHFFFAOYSA-N
XLogP0.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-[(5-ethyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 82159584
4-amino-1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one
CID 82159582
4-amino-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one
CID 64693717
4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 168699576
1-[(2-amino-5-fluorophenyl)methyl]-4-propylpyrrolidin-2-one
CID 104510823
1-[(5-bromo-2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168717385
4-tert-butyl-1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one
CID 104512631
4-amino-1-(2-fluoro-3-methoxyphenyl)pyrrolidin-2-one
CID 83807533
4-methoxy-3-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]benzenecarbothioamide
CID 104511862
1-[(2,5-dimethoxyphenyl)methyl]-4-ethenylpyrrolidin-2-one
CID 168684467
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714138
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-amino-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-one (CID 82159314) is 4-amino-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-one is COc1ccc(F)cc1CN1CC(N)CC1=O.
What is the InChIKey of 4-amino-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is WEGLJYNWMLFAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-17-11-3-2-9(13)4-8(11)6-15-7-10(14)5-12(15)16/h2-4,10H,5-7,14H2,1H3.
What are the key properties of 4-amino-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-one?
4-amino-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 238.26 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 82159314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).