2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one

C11H21NO2 — CID 63106212

IUPAC2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one
SMILESCCCCC(CC)C(=O)N1CC(O)C1
InChIInChI=1S/C11H21NO2/c1-3-5-6-9(4-2)11(14)12-7-10(13)8-12/h9-10,13H,3-8H2,1-2H3
InChIKeyAOFQKXCRJAKZEC-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.41
Rot. Bonds5

About 2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one

2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one (PubChem CID 63106212) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one.

Molecular Properties

Compound Name2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one
PubChem CID63106212
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one
SMILESCCCCC(CC)C(=O)N1CC(O)C1
InChIInChI=1S/C11H21NO2/c1-3-5-6-9(4-2)11(14)12-7-10(13)8-12/h9-10,13H,3-8H2,1-2H3
InChIKeyAOFQKXCRJAKZEC-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one
CID 43417122
1-(3,5-dimethylpiperazin-1-yl)-2-ethylhexan-1-one
CID 63873271
1-(3-bromopyrrolidin-1-yl)-2-ethylhexan-1-one
CID 80677700
1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one
CID 145133773
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-ethylhexan-1-one
CID 114960563
2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818218
2-ethyl-1-[3-(hydroxymethyl)piperidin-1-yl]hexan-1-one
CID 43422444
1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one
CID 114802168
2-ethyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one
CID 114498212
1-[2-(aminomethyl)morpholin-4-yl]-2-ethylhexan-1-one
CID 61336421
[1-(2-ethylhexanoyl)piperidin-4-yl]methanesulfonamide
CID 56786895
2-ethyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]hexan-1-one
CID 62372858

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one?
The IUPAC name of 2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one (CID 63106212) is 2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one.
What is the SMILES notation for 2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one?
The canonical SMILES for 2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one is CCCCC(CC)C(=O)N1CC(O)C1.
What is the InChIKey of 2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one?
The InChIKey is AOFQKXCRJAKZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-5-6-9(4-2)11(14)12-7-10(13)8-12/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one?
2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-hydroxyazetidin-1-yl)hexan-1-one is sourced from PubChem (CID 63106212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).