5-[3-(aminomethyl)phenyl]-4-hydroxy-1-methylpyrrolidin-2-one

C12H16N2O2 — CID 105475718

IUPAC5-[3-(aminomethyl)phenyl]-4-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC(O)C1c1cccc(CN)c1
InChIInChI=1S/C12H16N2O2/c1-14-11(16)6-10(15)12(14)9-4-2-3-8(5-9)7-13/h2-5,10,12,15H,6-7,13H2,1H3
InChIKeyQHIJMMZLNLBAAK-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.41
Rot. Bonds2

About 5-[3-(aminomethyl)phenyl]-4-hydroxy-1-methylpyrrolidin-2-one

5-[3-(aminomethyl)phenyl]-4-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 105475718) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-[3-(aminomethyl)phenyl]-4-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-(aminomethyl)phenyl]-4-hydroxy-1-methylpyrrolidin-2-one
PubChem CID105475718
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-[3-(aminomethyl)phenyl]-4-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC(O)C1c1cccc(CN)c1
InChIInChI=1S/C12H16N2O2/c1-14-11(16)6-10(15)12(14)9-4-2-3-8(5-9)7-13/h2-5,10,12,15H,6-7,13H2,1H3
InChIKeyQHIJMMZLNLBAAK-UHFFFAOYSA-N
XLogP0.41
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(aminomethyl)phenyl]-1-methylimidazolidin-2-one
CID 105457665
6-(3-aminophenyl)-5-hydroxy-1-methylpiperidin-2-one
CID 105475712
(2R,3S)-2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 95242214
(2S,3S)-2-(3-bromophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 102534139
4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
1-[3-(aminomethyl)phenyl]-3,4-dimethylimidazolidin-2-one
CID 116981908
[3-(2-fluorocyclopropyl)phenyl]methanamine
CID 115013049
3-[[3-(aminomethyl)phenyl]methyl]-1-methylimidazolidine-2,4-dione
CID 28824030
N-(2-amino-2-methylpropyl)-2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119628158
1-[3-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82513214
N-[2-(4-aminophenyl)ethyl]-2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119548591
1-[3-(aminomethyl)phenyl]pyrrolidine-3,4-diol
CID 106667658

Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)phenyl]-4-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of 5-[3-(aminomethyl)phenyl]-4-hydroxy-1-methylpyrrolidin-2-one (CID 105475718) is 5-[3-(aminomethyl)phenyl]-4-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[3-(aminomethyl)phenyl]-4-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-[3-(aminomethyl)phenyl]-4-hydroxy-1-methylpyrrolidin-2-one is CN1C(=O)CC(O)C1c1cccc(CN)c1.
What is the InChIKey of 5-[3-(aminomethyl)phenyl]-4-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is QHIJMMZLNLBAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-11(16)6-10(15)12(14)9-4-2-3-8(5-9)7-13/h2-5,10,12,15H,6-7,13H2,1H3.
What are the key properties of 5-[3-(aminomethyl)phenyl]-4-hydroxy-1-methylpyrrolidin-2-one?
5-[3-(aminomethyl)phenyl]-4-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)phenyl]-4-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 105475718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).