1-(oxazetidin-2-yl)decan-1-one

C12H23NO2 — CID 69091095

IUPAC1-(oxazetidin-2-yl)decan-1-one
SMILESCCCCCCCCCC(=O)N1CCO1
InChIInChI=1S/C12H23NO2/c1-2-3-4-5-6-7-8-9-12(14)13-10-11-15-13/h2-11H2,1H3
InChIKeyHVPIZIWMLYXQQB-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.90
Rot. Bonds8

About 1-(oxazetidin-2-yl)decan-1-one

1-(oxazetidin-2-yl)decan-1-one (PubChem CID 69091095) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(oxazetidin-2-yl)decan-1-one.

Molecular Properties

Compound Name1-(oxazetidin-2-yl)decan-1-one
PubChem CID69091095
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(oxazetidin-2-yl)decan-1-one
SMILESCCCCCCCCCC(=O)N1CCO1
InChIInChI=1S/C12H23NO2/c1-2-3-4-5-6-7-8-9-12(14)13-10-11-15-13/h2-11H2,1H3
InChIKeyHVPIZIWMLYXQQB-UHFFFAOYSA-N
XLogP2.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-octadecanoylpiperazin-1-yl)octadecan-1-one
CID 550164
1-morpholin-4-ylheptan-1-one;hydrochloride
CID 175124060
1-pyrrolidin-1-ylheptadecan-1-one
CID 574649
ethane;1-morpholin-4-ylhexan-1-one
CID 143214280
nonan-2-one
CID 13187
octadecakis(hexane);nonan-2-one
CID 173226284
nonatriacontan-2-one
CID 141365496
decan-2-one
CID 12741
tricosan-2-one
CID 529806
docosan-2-one
CID 522660
1-(4-propanoylpiperazin-1-yl)tetradecan-1-one
CID 10338117
1-(4-decanoyl-1,4-diazepan-1-yl)decan-1-one
CID 4155089

Frequently Asked Questions

What is the IUPAC name of 1-(oxazetidin-2-yl)decan-1-one?
The IUPAC name of 1-(oxazetidin-2-yl)decan-1-one (CID 69091095) is 1-(oxazetidin-2-yl)decan-1-one.
What is the SMILES notation for 1-(oxazetidin-2-yl)decan-1-one?
The canonical SMILES for 1-(oxazetidin-2-yl)decan-1-one is CCCCCCCCCC(=O)N1CCO1.
What is the InChIKey of 1-(oxazetidin-2-yl)decan-1-one?
The InChIKey is HVPIZIWMLYXQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-3-4-5-6-7-8-9-12(14)13-10-11-15-13/h2-11H2,1H3.
What are the key properties of 1-(oxazetidin-2-yl)decan-1-one?
1-(oxazetidin-2-yl)decan-1-one has a molecular weight of 213.32 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxazetidin-2-yl)decan-1-one is sourced from PubChem (CID 69091095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).