1-(3-hydroxyazetidin-1-yl)dodecan-1-one

C15H29NO2 — CID 65428081

IUPAC1-(3-hydroxyazetidin-1-yl)dodecan-1-one
SMILESCCCCCCCCCCCC(=O)N1CC(O)C1
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-9-10-11-15(18)16-12-14(17)13-16/h14,17H,2-13H2,1H3
InChIKeyQOWFWSIXPRGJJK-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.11
Rot. Bonds10

About 1-(3-hydroxyazetidin-1-yl)dodecan-1-one

1-(3-hydroxyazetidin-1-yl)dodecan-1-one (PubChem CID 65428081) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(3-hydroxyazetidin-1-yl)dodecan-1-one.

Molecular Properties

Compound Name1-(3-hydroxyazetidin-1-yl)dodecan-1-one
PubChem CID65428081
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-(3-hydroxyazetidin-1-yl)dodecan-1-one
SMILESCCCCCCCCCCCC(=O)N1CC(O)C1
InChIInChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-9-10-11-15(18)16-12-14(17)13-16/h14,17H,2-13H2,1H3
InChIKeyQOWFWSIXPRGJJK-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxyazetidin-1-yl)nonan-1-one
CID 63105492
1-(3,4-dihydroxypyrrolidin-1-yl)octan-1-one
CID 86230613
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]hexan-1-one
CID 79410087
1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
CID 94842553
7-amino-1-(3-hydroxyazetidin-1-yl)heptan-1-one
CID 107217559
1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-[(3R,4R)-3-fluoro-4-hydroxypyrrolidin-1-yl]hexan-1-one
CID 146509986
1-(3-hydroxy-4-methylpiperidin-1-yl)decan-1-one
CID 103900332
1-(3-chloro-4-methylpiperidin-1-yl)decan-1-one
CID 102961471
1-heptanoyl-4-methylpyrrolidine-3-carboxylic acid
CID 63722075
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 107224759

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyazetidin-1-yl)dodecan-1-one?
The IUPAC name of 1-(3-hydroxyazetidin-1-yl)dodecan-1-one (CID 65428081) is 1-(3-hydroxyazetidin-1-yl)dodecan-1-one.
What is the SMILES notation for 1-(3-hydroxyazetidin-1-yl)dodecan-1-one?
The canonical SMILES for 1-(3-hydroxyazetidin-1-yl)dodecan-1-one is CCCCCCCCCCCC(=O)N1CC(O)C1.
What is the InChIKey of 1-(3-hydroxyazetidin-1-yl)dodecan-1-one?
The InChIKey is QOWFWSIXPRGJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-3-4-5-6-7-8-9-10-11-15(18)16-12-14(17)13-16/h14,17H,2-13H2,1H3.
What are the key properties of 1-(3-hydroxyazetidin-1-yl)dodecan-1-one?
1-(3-hydroxyazetidin-1-yl)dodecan-1-one has a molecular weight of 255.40 g/mol, XLogP of 3.11, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyazetidin-1-yl)dodecan-1-one is sourced from PubChem (CID 65428081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).