4-(aminomethyl)-1-(2-ethylphenyl)-5-methylpyrrolidin-2-one

C14H20N2O — CID 117022081

IUPAC4-(aminomethyl)-1-(2-ethylphenyl)-5-methylpyrrolidin-2-one
SMILESCCc1ccccc1N1C(=O)CC(CN)C1C
InChIInChI=1S/C14H20N2O/c1-3-11-6-4-5-7-13(11)16-10(2)12(9-15)8-14(16)17/h4-7,10,12H,3,8-9,15H2,1-2H3
InChIKeyPYILIAVZVAWRLI-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.95
Rot. Bonds3

About 4-(aminomethyl)-1-(2-ethylphenyl)-5-methylpyrrolidin-2-one

4-(aminomethyl)-1-(2-ethylphenyl)-5-methylpyrrolidin-2-one (PubChem CID 117022081) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(2-ethylphenyl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(2-ethylphenyl)-5-methylpyrrolidin-2-one
PubChem CID117022081
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(aminomethyl)-1-(2-ethylphenyl)-5-methylpyrrolidin-2-one
SMILESCCc1ccccc1N1C(=O)CC(CN)C1C
InChIInChI=1S/C14H20N2O/c1-3-11-6-4-5-7-13(11)16-10(2)12(9-15)8-14(16)17/h4-7,10,12H,3,8-9,15H2,1-2H3
InChIKeyPYILIAVZVAWRLI-UHFFFAOYSA-N
XLogP1.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylphenyl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 62302568
1-(2-tert-butylphenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one
CID 117021896
1-(2-fluorophenyl)-4-(hydroxymethyl)-5-methylpyrrolidin-2-one
CID 117021898
4-amino-1-(2-bromophenyl)-5-methylpyrrolidin-2-one
CID 117022547
4-amino-5-methyl-1-(2-propan-2-ylphenyl)pyrrolidin-2-one
CID 117022515
1-(2-ethylphenyl)pyrrolidine-2,5-dione
CID 17035334
1-[2-(aminomethyl)phenyl]-3-methylpyrrolidine-2,5-dione
CID 61038416
3-[2-(aminomethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one
CID 105458812
4-(aminomethyl)-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one
CID 64695007
4-(aminomethyl)-1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
CID 117022057
4-chloro-1-(2-ethylphenyl)pyrrolidin-2-one
CID 168687542
[2-(2-ethylphenoxy)-4-methylcyclohexyl]methanamine
CID 43294242

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(2-ethylphenyl)-5-methylpyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(2-ethylphenyl)-5-methylpyrrolidin-2-one (CID 117022081) is 4-(aminomethyl)-1-(2-ethylphenyl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(2-ethylphenyl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(2-ethylphenyl)-5-methylpyrrolidin-2-one is CCc1ccccc1N1C(=O)CC(CN)C1C.
What is the InChIKey of 4-(aminomethyl)-1-(2-ethylphenyl)-5-methylpyrrolidin-2-one?
The InChIKey is PYILIAVZVAWRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-11-6-4-5-7-13(11)16-10(2)12(9-15)8-14(16)17/h4-7,10,12H,3,8-9,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1-(2-ethylphenyl)-5-methylpyrrolidin-2-one?
4-(aminomethyl)-1-(2-ethylphenyl)-5-methylpyrrolidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(2-ethylphenyl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 117022081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).