3-butoxy-1,2-diethylpyridin-4-one

C13H21NO2 — CID 90068943

IUPAC3-butoxy-1,2-diethylpyridin-4-one
SMILESCCCCOc1c(CC)n(CC)ccc1=O
InChIInChI=1S/C13H21NO2/c1-4-7-10-16-13-11(5-2)14(6-3)9-8-12(13)15/h8-9H,4-7,10H2,1-3H3
InChIKeyQQCVFEKTTCRLKZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.61
Rot. Bonds6

About 3-butoxy-1,2-diethylpyridin-4-one

3-butoxy-1,2-diethylpyridin-4-one (PubChem CID 90068943) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-butoxy-1,2-diethylpyridin-4-one.

Molecular Properties

Compound Name3-butoxy-1,2-diethylpyridin-4-one
PubChem CID90068943
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name3-butoxy-1,2-diethylpyridin-4-one
SMILESCCCCOc1c(CC)n(CC)ccc1=O
InChIInChI=1S/C13H21NO2/c1-4-7-10-16-13-11(5-2)14(6-3)9-8-12(13)15/h8-9H,4-7,10H2,1-3H3
InChIKeyQQCVFEKTTCRLKZ-UHFFFAOYSA-N
XLogP2.61
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-butoxy-1,2-diethylpyridin-4-one?
The IUPAC name of 3-butoxy-1,2-diethylpyridin-4-one (CID 90068943) is 3-butoxy-1,2-diethylpyridin-4-one.
What is the SMILES notation for 3-butoxy-1,2-diethylpyridin-4-one?
The canonical SMILES for 3-butoxy-1,2-diethylpyridin-4-one is CCCCOc1c(CC)n(CC)ccc1=O.
What is the InChIKey of 3-butoxy-1,2-diethylpyridin-4-one?
The InChIKey is QQCVFEKTTCRLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-7-10-16-13-11(5-2)14(6-3)9-8-12(13)15/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 3-butoxy-1,2-diethylpyridin-4-one?
3-butoxy-1,2-diethylpyridin-4-one has a molecular weight of 223.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-1,2-diethylpyridin-4-one is sourced from PubChem (CID 90068943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).