4-amino-1-(2-fluoro-3-methoxyphenyl)pyrrolidin-2-one

C11H13FN2O2 — CID 83807533

IUPAC4-amino-1-(2-fluoro-3-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1cccc(N2CC(N)CC2=O)c1F
InChIInChI=1S/C11H13FN2O2/c1-16-9-4-2-3-8(11(9)12)14-6-7(13)5-10(14)15/h2-4,7H,5-6,13H2,1H3
InChIKeyKBOPZTZTVIEXDE-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.90
Rot. Bonds2

About 4-amino-1-(2-fluoro-3-methoxyphenyl)pyrrolidin-2-one

4-amino-1-(2-fluoro-3-methoxyphenyl)pyrrolidin-2-one (PubChem CID 83807533) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is 4-amino-1-(2-fluoro-3-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-amino-1-(2-fluoro-3-methoxyphenyl)pyrrolidin-2-one
PubChem CID83807533
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name4-amino-1-(2-fluoro-3-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1cccc(N2CC(N)CC2=O)c1F
InChIInChI=1S/C11H13FN2O2/c1-16-9-4-2-3-8(11(9)12)14-6-7(13)5-10(14)15/h2-4,7H,5-6,13H2,1H3
InChIKeyKBOPZTZTVIEXDE-UHFFFAOYSA-N
XLogP0.90
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(2-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl chloride
CID 168673123
S-[1-(2-fluoro-3-methoxyphenyl)-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705286
4-amino-1-(2-bromo-3-fluorophenyl)pyrrolidin-2-one
CID 168701150
4-amino-1-(4-methoxy-3-pyridinyl)pyrrolidin-2-one
CID 168699582
2-(4-amino-2-oxopyrrolidin-1-yl)-3-methoxybenzoic acid
CID 168699622
4-amino-1-(8-methoxyquinolin-5-yl)pyrrolidin-2-one
CID 168699530
4-amino-1-(4-fluoro-2-methylphenyl)pyrrolidin-2-one
CID 43521142
1-(2-methoxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670200
4-amino-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 82159314
1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714278
(4R)-4-amino-1-(3-fluorophenyl)pyrrolidin-2-one
CID 26365707
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-fluoro-3-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-amino-1-(2-fluoro-3-methoxyphenyl)pyrrolidin-2-one (CID 83807533) is 4-amino-1-(2-fluoro-3-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-amino-1-(2-fluoro-3-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-amino-1-(2-fluoro-3-methoxyphenyl)pyrrolidin-2-one is COc1cccc(N2CC(N)CC2=O)c1F.
What is the InChIKey of 4-amino-1-(2-fluoro-3-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is KBOPZTZTVIEXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c1-16-9-4-2-3-8(11(9)12)14-6-7(13)5-10(14)15/h2-4,7H,5-6,13H2,1H3.
What are the key properties of 4-amino-1-(2-fluoro-3-methoxyphenyl)pyrrolidin-2-one?
4-amino-1-(2-fluoro-3-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 224.24 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-fluoro-3-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 83807533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).