1-[2-(aminomethyl)phenyl]pyrrolidin-3-one

C11H14N2O — CID 115018241

IUPAC1-[2-(aminomethyl)phenyl]pyrrolidin-3-one
SMILESNCc1ccccc1N1CCC(=O)C1
InChIInChI=1S/C11H14N2O/c12-7-9-3-1-2-4-11(9)13-6-5-10(14)8-13/h1-4H,5-8,12H2
InChIKeyBKFBTYAOQCNNGQ-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.92
Rot. Bonds2

About 1-[2-(aminomethyl)phenyl]pyrrolidin-3-one

1-[2-(aminomethyl)phenyl]pyrrolidin-3-one (PubChem CID 115018241) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]pyrrolidin-3-one.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]pyrrolidin-3-one
PubChem CID115018241
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-[2-(aminomethyl)phenyl]pyrrolidin-3-one
SMILESNCc1ccccc1N1CCC(=O)C1
InChIInChI=1S/C11H14N2O/c12-7-9-3-1-2-4-11(9)13-6-5-10(14)8-13/h1-4H,5-8,12H2
InChIKeyBKFBTYAOQCNNGQ-UHFFFAOYSA-N
XLogP0.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 23052790
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(2-piperazin-1-ylphenyl)methanamine;hydrochloride
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[2-(2-azaspiro[3.3]heptan-2-yl)phenyl]methanamine
CID 79677460
[2-(3,5-dimethylpiperidin-1-yl)phenyl]methanamine
CID 43199915
[2-(3,3-difluoropiperidin-1-yl)phenyl]methanamine
CID 115035536
1-(2-hydroxyphenyl)piperidin-4-one
CID 71419745
4-[2-(2-aminopropyl)phenyl]-1-methylpiperazin-2-one
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1-(3-aminophenyl)pyrrolidin-3-one
CID 115014711

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]pyrrolidin-3-one?
The IUPAC name of 1-[2-(aminomethyl)phenyl]pyrrolidin-3-one (CID 115018241) is 1-[2-(aminomethyl)phenyl]pyrrolidin-3-one.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]pyrrolidin-3-one?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]pyrrolidin-3-one is NCc1ccccc1N1CCC(=O)C1.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]pyrrolidin-3-one?
The InChIKey is BKFBTYAOQCNNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-7-9-3-1-2-4-11(9)13-6-5-10(14)8-13/h1-4H,5-8,12H2.
What are the key properties of 1-[2-(aminomethyl)phenyl]pyrrolidin-3-one?
1-[2-(aminomethyl)phenyl]pyrrolidin-3-one has a molecular weight of 190.25 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]pyrrolidin-3-one is sourced from PubChem (CID 115018241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).