4-(aminomethyl)-1-(5-fluoro-2-hydroxyphenyl)pyrrolidin-2-one

C11H13FN2O2 — CID 168660608

IUPAC4-(aminomethyl)-1-(5-fluoro-2-hydroxyphenyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2cc(F)ccc2O)C1
InChIInChI=1S/C11H13FN2O2/c12-8-1-2-10(15)9(4-8)14-6-7(5-13)3-11(14)16/h1-2,4,7,15H,3,5-6,13H2
InChIKeyYKXMDSNGYFJFDK-UHFFFAOYSA-N
MW224.24 g/mol
LogP0.84
Rot. Bonds2

About 4-(aminomethyl)-1-(5-fluoro-2-hydroxyphenyl)pyrrolidin-2-one

4-(aminomethyl)-1-(5-fluoro-2-hydroxyphenyl)pyrrolidin-2-one (PubChem CID 168660608) has the molecular formula C11H13FN2O2 and a molecular weight of 224.24 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(5-fluoro-2-hydroxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(5-fluoro-2-hydroxyphenyl)pyrrolidin-2-one
PubChem CID168660608
Molecular FormulaC11H13FN2O2
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name4-(aminomethyl)-1-(5-fluoro-2-hydroxyphenyl)pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2cc(F)ccc2O)C1
InChIInChI=1S/C11H13FN2O2/c12-8-1-2-10(15)9(4-8)14-6-7(5-13)3-11(14)16/h1-2,4,7,15H,3,5-6,13H2
InChIKeyYKXMDSNGYFJFDK-UHFFFAOYSA-N
XLogP0.84
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-fluorobenzonitrile
CID 168660605
4-(aminomethyl)-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one
CID 168659436
S-[[1-(5-fluoro-2-hydroxyphenyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168668104
4-(aminomethyl)-1-[4-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168660629
4-(aminomethyl)-1-(5-fluoro-2-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 168659169
4-(aminomethyl)-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one
CID 168659342
4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one
CID 168661049
4-(aminomethyl)-1-(2-hydroxy-4-nitrophenyl)pyrrolidin-2-one
CID 168660857
[1-(2,5-difluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682427
3-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-4-fluorobenzoic acid
CID 168660594
4-(aminomethyl)-1-(2-chloro-3-hydroxy-4-methylphenyl)pyrrolidin-2-one
CID 168659748
5-[4-(aminomethyl)-2-oxopyrrolidin-1-yl]-2,4-difluorobenzoic acid
CID 168660568

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(5-fluoro-2-hydroxyphenyl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(5-fluoro-2-hydroxyphenyl)pyrrolidin-2-one (CID 168660608) is 4-(aminomethyl)-1-(5-fluoro-2-hydroxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(5-fluoro-2-hydroxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(5-fluoro-2-hydroxyphenyl)pyrrolidin-2-one is NCC1CC(=O)N(c2cc(F)ccc2O)C1.
What is the InChIKey of 4-(aminomethyl)-1-(5-fluoro-2-hydroxyphenyl)pyrrolidin-2-one?
The InChIKey is YKXMDSNGYFJFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-8-1-2-10(15)9(4-8)14-6-7(5-13)3-11(14)16/h1-2,4,7,15H,3,5-6,13H2.
What are the key properties of 4-(aminomethyl)-1-(5-fluoro-2-hydroxyphenyl)pyrrolidin-2-one?
4-(aminomethyl)-1-(5-fluoro-2-hydroxyphenyl)pyrrolidin-2-one has a molecular weight of 224.24 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(5-fluoro-2-hydroxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168660608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).