3-ethoxy-1-pyridin-2-ylhexan-2-one

C13H19NO2 — CID 116707835

IUPAC3-ethoxy-1-pyridin-2-ylhexan-2-one
SMILESCCCC(OCC)C(=O)Cc1ccccn1
InChIInChI=1S/C13H19NO2/c1-3-7-13(16-4-2)12(15)10-11-8-5-6-9-14-11/h5-6,8-9,13H,3-4,7,10H2,1-2H3
InChIKeyHVFJPTSVJWYCNL-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.40
Rot. Bonds7

About 3-ethoxy-1-pyridin-2-ylhexan-2-one

3-ethoxy-1-pyridin-2-ylhexan-2-one (PubChem CID 116707835) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-ethoxy-1-pyridin-2-ylhexan-2-one.

Molecular Properties

Compound Name3-ethoxy-1-pyridin-2-ylhexan-2-one
PubChem CID116707835
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-ethoxy-1-pyridin-2-ylhexan-2-one
SMILESCCCC(OCC)C(=O)Cc1ccccn1
InChIInChI=1S/C13H19NO2/c1-3-7-13(16-4-2)12(15)10-11-8-5-6-9-14-11/h5-6,8-9,13H,3-4,7,10H2,1-2H3
InChIKeyHVFJPTSVJWYCNL-UHFFFAOYSA-N
XLogP2.40
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-1-pyridin-4-ylhexan-2-one
CID 116707737
methane;3-methyl-1-pyridin-2-ylbutan-2-one
CID 159764567
3-ethoxy-1-(1-methylindazol-3-yl)hexan-2-one
CID 116707739
4-methyl-1-pyridin-2-ylheptan-2-one
CID 62620777
1-(1-butan-2-ylpyrazol-3-yl)-3-ethoxyhexan-2-one
CID 116707987
4,4,4-trifluoro-1-pyridin-2-yl-3-(trifluoromethyl)butan-2-one
CID 103311490
bis(pyridin-2-ylmethyl) (2R,3R)-2,3-dipropylbutanedioate
CID 102384709
bis(pyridin-2-ylmethyl) (2S,3S)-2,3-dipropylbutanedioate
CID 102384710
1-(2,5-dichlorophenyl)-3-ethoxyhexan-2-one
CID 116708002
1-(3,4-dichlorophenyl)-3-ethoxyhexan-2-one
CID 116707862
N,N-dipropyl-2-pyridin-2-ylacetamide
CID 110696960
methyl 2-oxo-3-pyridin-2-ylpropanoate
CID 13353658

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-pyridin-2-ylhexan-2-one?
The IUPAC name of 3-ethoxy-1-pyridin-2-ylhexan-2-one (CID 116707835) is 3-ethoxy-1-pyridin-2-ylhexan-2-one.
What is the SMILES notation for 3-ethoxy-1-pyridin-2-ylhexan-2-one?
The canonical SMILES for 3-ethoxy-1-pyridin-2-ylhexan-2-one is CCCC(OCC)C(=O)Cc1ccccn1.
What is the InChIKey of 3-ethoxy-1-pyridin-2-ylhexan-2-one?
The InChIKey is HVFJPTSVJWYCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-7-13(16-4-2)12(15)10-11-8-5-6-9-14-11/h5-6,8-9,13H,3-4,7,10H2,1-2H3.
What are the key properties of 3-ethoxy-1-pyridin-2-ylhexan-2-one?
3-ethoxy-1-pyridin-2-ylhexan-2-one has a molecular weight of 221.30 g/mol, XLogP of 2.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-pyridin-2-ylhexan-2-one is sourced from PubChem (CID 116707835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).