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

C₁₀H₁₆N₂O₃ — CID 107017539

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

3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one (PubChem CID 107017539) has the molecular formula C₁₀H₁₆N₂O₃ and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one.

Molecular Properties

• Compound Name: 3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one
• PubChem CID: 107017539
• Molecular Formula: C₁₀H₁₆N₂O₃
• Molecular Weight: 212.25 g/mol
• Exact Mass: 212.12
• IUPAC Name: 3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one
• SMILES: NCc1cccn(CCOCCO)c1=O
• InChI: InChI=1S/C10H16N2O3/c11-8-9-2-1-3-12(10(9)14)4-6-15-7-5-13/h1-3,13H,4-8,11H2
• InChIKey: RBUNOFMGGZYUGK-UHFFFAOYSA-N
• XLogP: -0.68
• TPSA: 77.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	212.25
LogP ≤ 5	-0.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one?

The IUPAC name of 3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one (CID 107017539) is 3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one.

What is the SMILES notation for 3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one?

The canonical SMILES for 3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one is NCc1cccn(CCOCCO)c1=O.

What is the InChIKey of 3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one?

The InChIKey is RBUNOFMGGZYUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c11-8-9-2-1-3-12(10(9)14)4-6-15-7-5-13/h1-3,13H,4-8,11H2.

What are the key properties of 3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one?

3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one has a molecular weight of 212.25 g/mol, XLogP of -0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(aminomethyl)-1-[2-(2-hydroxyethoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 107017539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 107017539 — identifiers, structure, computed properties (public domain)

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