5-amino-1-[2-(2-butoxyethoxy)ethyl]pyridin-2-one

C13H22N2O3 — CID 43260157

IUPAC5-amino-1-[2-(2-butoxyethoxy)ethyl]pyridin-2-one
SMILESCCCCOCCOCCn1cc(N)ccc1=O
InChIInChI=1S/C13H22N2O3/c1-2-3-7-17-9-10-18-8-6-15-11-12(14)4-5-13(15)16/h4-5,11H,2-3,6-10,14H2,1H3
InChIKeyUBBOWAVKLBAKQV-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.26
Rot. Bonds9

About 5-amino-1-[2-(2-butoxyethoxy)ethyl]pyridin-2-one

5-amino-1-[2-(2-butoxyethoxy)ethyl]pyridin-2-one (PubChem CID 43260157) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 5-amino-1-[2-(2-butoxyethoxy)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(2-butoxyethoxy)ethyl]pyridin-2-one
PubChem CID43260157
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name5-amino-1-[2-(2-butoxyethoxy)ethyl]pyridin-2-one
SMILESCCCCOCCOCCn1cc(N)ccc1=O
InChIInChI=1S/C13H22N2O3/c1-2-3-7-17-9-10-18-8-6-15-11-12(14)4-5-13(15)16/h4-5,11H,2-3,6-10,14H2,1H3
InChIKeyUBBOWAVKLBAKQV-UHFFFAOYSA-N
XLogP1.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5-amino-1-[2-(2-butoxyethoxy)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(2-butoxyethoxy)ethyl]pyridin-2-one (CID 43260157) is 5-amino-1-[2-(2-butoxyethoxy)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(2-butoxyethoxy)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(2-butoxyethoxy)ethyl]pyridin-2-one is CCCCOCCOCCn1cc(N)ccc1=O.
What is the InChIKey of 5-amino-1-[2-(2-butoxyethoxy)ethyl]pyridin-2-one?
The InChIKey is UBBOWAVKLBAKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-2-3-7-17-9-10-18-8-6-15-11-12(14)4-5-13(15)16/h4-5,11H,2-3,6-10,14H2,1H3.
What are the key properties of 5-amino-1-[2-(2-butoxyethoxy)ethyl]pyridin-2-one?
5-amino-1-[2-(2-butoxyethoxy)ethyl]pyridin-2-one has a molecular weight of 254.33 g/mol, XLogP of 1.26, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(2-butoxyethoxy)ethyl]pyridin-2-one is sourced from PubChem (CID 43260157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).