1-[2-(aminomethyl)phenyl]-4-hydroxypyrrolidin-2-one

C11H14N2O2 — CID 168703041

IUPAC1-[2-(aminomethyl)phenyl]-4-hydroxypyrrolidin-2-one
SMILESNCc1ccccc1N1CC(O)CC1=O
InChIInChI=1S/C11H14N2O2/c12-6-8-3-1-2-4-10(8)13-7-9(14)5-11(13)15/h1-4,9,14H,5-7,12H2
InChIKeyRLMRZULZJFRZGI-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.24
Rot. Bonds2

About 1-[2-(aminomethyl)phenyl]-4-hydroxypyrrolidin-2-one

1-[2-(aminomethyl)phenyl]-4-hydroxypyrrolidin-2-one (PubChem CID 168703041) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-4-hydroxypyrrolidin-2-one
PubChem CID168703041
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-[2-(aminomethyl)phenyl]-4-hydroxypyrrolidin-2-one
SMILESNCc1ccccc1N1CC(O)CC1=O
InChIInChI=1S/C11H14N2O2/c12-6-8-3-1-2-4-10(8)13-7-9(14)5-11(13)15/h1-4,9,14H,5-7,12H2
InChIKeyRLMRZULZJFRZGI-UHFFFAOYSA-N
XLogP0.24
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697394
4-hydroxy-1-[2-(pyrrolidin-1-ylmethyl)phenyl]pyrrolidin-2-one
CID 168703708
1-[2-(aminomethyl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168685419
4-hydroxy-1-(2-pyrrolidin-1-ylphenyl)pyrrolidin-2-one
CID 168703559
4-hydroxy-1-(2-pyrazol-1-ylphenyl)pyrrolidin-2-one
CID 168703552
1-(3-chloro-2-hydroxyphenyl)-4-hydroxypyrrolidin-2-one
CID 168703922
3-[2-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 105458799
1-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-4-hydroxypyrrolidin-2-one
CID 46912463
4-chloro-1-(2-ethylphenyl)pyrrolidin-2-one
CID 168687542
1-(2-bromo-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703965
1-(2-fluoro-3-pyridinyl)-4-hydroxypyrrolidin-2-one
CID 168703969
1-[2-(2-hydroxyethyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663882

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-4-hydroxypyrrolidin-2-one (CID 168703041) is 1-[2-(aminomethyl)phenyl]-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-4-hydroxypyrrolidin-2-one is NCc1ccccc1N1CC(O)CC1=O.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-4-hydroxypyrrolidin-2-one?
The InChIKey is RLMRZULZJFRZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-6-8-3-1-2-4-10(8)13-7-9(14)5-11(13)15/h1-4,9,14H,5-7,12H2.
What are the key properties of 1-[2-(aminomethyl)phenyl]-4-hydroxypyrrolidin-2-one?
1-[2-(aminomethyl)phenyl]-4-hydroxypyrrolidin-2-one has a molecular weight of 206.25 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168703041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).