4-(aminomethyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one

C14H20N2O3 — CID 168659646

IUPAC4-(aminomethyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1cc(CN2CC(CN)CC2=O)cc(OC)c1
InChIInChI=1S/C14H20N2O3/c1-18-12-3-10(4-13(6-12)19-2)8-16-9-11(7-15)5-14(16)17/h3-4,6,11H,5,7-9,15H2,1-2H3
InChIKeyJRDGXFPJPLDHFV-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.01
Rot. Bonds5

About 4-(aminomethyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one

4-(aminomethyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one (PubChem CID 168659646) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one
PubChem CID168659646
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-(aminomethyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one
SMILESCOc1cc(CN2CC(CN)CC2=O)cc(OC)c1
InChIInChI=1S/C14H20N2O3/c1-18-12-3-10(4-13(6-12)19-2)8-16-9-11(7-15)5-14(16)17/h3-4,6,11H,5,7-9,15H2,1-2H3
InChIKeyJRDGXFPJPLDHFV-UHFFFAOYSA-N
XLogP1.01
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3-amino-5-methoxyphenyl)methyl]-4-ethylpyrrolidin-2-one
CID 81150822
1-[(3,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690904
1-[(3-amino-5-methoxyphenyl)methyl]-4-methylpyrrolidin-2-one
CID 81150038
S-[1-[(3,5-dimethoxyphenyl)methyl]-5-oxopyrrolidin-3-yl] ethanethioate
CID 168705314
4-(aminomethyl)-1-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrrolidin-2-one
CID 114256587
4-(aminomethyl)-1-[(2-propan-2-yloxy-4-pyridinyl)methyl]pyrrolidin-2-one
CID 168659174
4-(aminomethyl)-1-[(2-ethylphenyl)methyl]pyrrolidin-2-one
CID 64695007
[5-oxo-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-3-yl]methanesulfonamide
CID 168681233
4-(aminomethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-2-one;hydrochloride
CID 52988220
4-(aminomethyl)-1-(3-bromo-5-methoxyphenyl)pyrrolidin-2-one
CID 82860333
4-(aminomethyl)-1-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidin-2-one
CID 168660316
1-[(3-methoxyphenyl)methyl]-4-sulfanylpyrrolidin-2-one
CID 168708642

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one (CID 168659646) is 4-(aminomethyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one is COc1cc(CN2CC(CN)CC2=O)cc(OC)c1.
What is the InChIKey of 4-(aminomethyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one?
The InChIKey is JRDGXFPJPLDHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-12-3-10(4-13(6-12)19-2)8-16-9-11(7-15)5-14(16)17/h3-4,6,11H,5,7-9,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one?
4-(aminomethyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one has a molecular weight of 264.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168659646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).