1-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidin-2-one

C12H16N2O2 — CID 104848461

IUPAC1-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidin-2-one
SMILESCOc1cc(CN)ccc1N1CCCC1=O
InChIInChI=1S/C12H16N2O2/c1-16-11-7-9(8-13)4-5-10(11)14-6-2-3-12(14)15/h4-5,7H,2-3,6,8,13H2,1H3
InChIKeyAKQFYOOFXUDYPN-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.28
Rot. Bonds3

About 1-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidin-2-one

1-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidin-2-one (PubChem CID 104848461) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidin-2-one
PubChem CID104848461
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidin-2-one
SMILESCOc1cc(CN)ccc1N1CCCC1=O
InChIInChI=1S/C12H16N2O2/c1-16-11-7-9(8-13)4-5-10(11)14-6-2-3-12(14)15/h4-5,7H,2-3,6,8,13H2,1H3
InChIKeyAKQFYOOFXUDYPN-UHFFFAOYSA-N
XLogP1.28
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-(aminomethyl)-2-methoxyphenyl]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

3-methoxy-4-(2-oxopyrrolidin-1-yl)benzenecarbothioamide
CID 104849536
3-methoxy-4-(2-oxopiperidin-1-yl)benzenecarbothioamide
CID 113460407
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]formamide
CID 64992271
4-ethyl-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 7635876
methyl 3-methoxy-4-(2-oxopiperidin-1-yl)benzoate
CID 53419638
3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
CID 62232072
1-(4-amino-2-methoxyphenyl)azepane-2,7-dione
CID 43382567
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 7686701
1-(4-bromo-2,5-dimethoxyphenyl)pyrrolidin-2-one
CID 15154182
1-[4-(aminomethyl)-2-methoxyphenyl]-3-methylpyrrolidine-2,5-dione
CID 113460325
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]ethanesulfonamide
CID 107650806
(2R)-2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119276490

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidin-2-one (CID 104848461) is 1-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidin-2-one is COc1cc(CN)ccc1N1CCCC1=O.
What is the InChIKey of 1-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidin-2-one?
The InChIKey is AKQFYOOFXUDYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-16-11-7-9(8-13)4-5-10(11)14-6-2-3-12(14)15/h4-5,7H,2-3,6,8,13H2,1H3.
What are the key properties of 1-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidin-2-one?
1-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-2-methoxyphenyl]pyrrolidin-2-one is sourced from PubChem (CID 104848461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).