1-[2-(2-aminoethoxy)ethyl]pyridin-4-one

C9H14N2O2 — CID 82143929

IUPAC1-[2-(2-aminoethoxy)ethyl]pyridin-4-one
SMILESNCCOCCn1ccc(=O)cc1
InChIInChI=1S/C9H14N2O2/c10-3-7-13-8-6-11-4-1-9(12)2-5-11/h1-2,4-5H,3,6-8,10H2
InChIKeyOWNFOGFAUKJXMX-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.18
Rot. Bonds5

About 1-[2-(2-aminoethoxy)ethyl]pyridin-4-one

1-[2-(2-aminoethoxy)ethyl]pyridin-4-one (PubChem CID 82143929) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 1-[2-(2-aminoethoxy)ethyl]pyridin-4-one.

Molecular Properties

Compound Name1-[2-(2-aminoethoxy)ethyl]pyridin-4-one
PubChem CID82143929
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name1-[2-(2-aminoethoxy)ethyl]pyridin-4-one
SMILESNCCOCCn1ccc(=O)cc1
InChIInChI=1S/C9H14N2O2/c10-3-7-13-8-6-11-4-1-9(12)2-5-11/h1-2,4-5H,3,6-8,10H2
InChIKeyOWNFOGFAUKJXMX-UHFFFAOYSA-N
XLogP-0.18
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-aminoethoxy)ethyl]pyridin-4-one?
The IUPAC name of 1-[2-(2-aminoethoxy)ethyl]pyridin-4-one (CID 82143929) is 1-[2-(2-aminoethoxy)ethyl]pyridin-4-one.
What is the SMILES notation for 1-[2-(2-aminoethoxy)ethyl]pyridin-4-one?
The canonical SMILES for 1-[2-(2-aminoethoxy)ethyl]pyridin-4-one is NCCOCCn1ccc(=O)cc1.
What is the InChIKey of 1-[2-(2-aminoethoxy)ethyl]pyridin-4-one?
The InChIKey is OWNFOGFAUKJXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c10-3-7-13-8-6-11-4-1-9(12)2-5-11/h1-2,4-5H,3,6-8,10H2.
What are the key properties of 1-[2-(2-aminoethoxy)ethyl]pyridin-4-one?
1-[2-(2-aminoethoxy)ethyl]pyridin-4-one has a molecular weight of 182.22 g/mol, XLogP of -0.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-aminoethoxy)ethyl]pyridin-4-one is sourced from PubChem (CID 82143929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).