3-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyridin-2-one

C11H18N2O3 — CID 107017511

IUPAC3-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyridin-2-one
SMILESCOCCOCCn1cccc(CN)c1=O
InChIInChI=1S/C11H18N2O3/c1-15-7-8-16-6-5-13-4-2-3-10(9-12)11(13)14/h2-4H,5-9,12H2,1H3
InChIKeyJJJMZJSZSMYGBQ-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.03
Rot. Bonds7

About 3-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyridin-2-one

3-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyridin-2-one (PubChem CID 107017511) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyridin-2-one
PubChem CID107017511
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyridin-2-one
SMILESCOCCOCCn1cccc(CN)c1=O
InChIInChI=1S/C11H18N2O3/c1-15-7-8-16-6-5-13-4-2-3-10(9-12)11(13)14/h2-4H,5-9,12H2,1H3
InChIKeyJJJMZJSZSMYGBQ-UHFFFAOYSA-N
XLogP-0.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyridin-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

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyridin-2-one?
The IUPAC name of 3-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyridin-2-one (CID 107017511) is 3-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyridin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyridin-2-one is COCCOCCn1cccc(CN)c1=O.
What is the InChIKey of 3-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyridin-2-one?
The InChIKey is JJJMZJSZSMYGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-15-7-8-16-6-5-13-4-2-3-10(9-12)11(13)14/h2-4H,5-9,12H2,1H3.
What are the key properties of 3-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyridin-2-one?
3-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyridin-2-one has a molecular weight of 226.28 g/mol, XLogP of -0.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-[2-(2-methoxyethoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 107017511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).