2-(azetidin-3-yl)-1-(oxolan-3-yl)propan-1-one

C10H17NO2 — CID 116680683

IUPAC2-(azetidin-3-yl)-1-(oxolan-3-yl)propan-1-one
SMILESCC(C(=O)C1CCOC1)C1CNC1
InChIInChI=1S/C10H17NO2/c1-7(9-4-11-5-9)10(12)8-2-3-13-6-8/h7-9,11H,2-6H2,1H3
InChIKeyIPIPDVXPWXJUJM-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.45
Rot. Bonds3

About 2-(azetidin-3-yl)-1-(oxolan-3-yl)propan-1-one

2-(azetidin-3-yl)-1-(oxolan-3-yl)propan-1-one (PubChem CID 116680683) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(oxolan-3-yl)propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(oxolan-3-yl)propan-1-one
PubChem CID116680683
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(azetidin-3-yl)-1-(oxolan-3-yl)propan-1-one
SMILESCC(C(=O)C1CCOC1)C1CNC1
InChIInChI=1S/C10H17NO2/c1-7(9-4-11-5-9)10(12)8-2-3-13-6-8/h7-9,11H,2-6H2,1H3
InChIKeyIPIPDVXPWXJUJM-UHFFFAOYSA-N
XLogP0.45
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[(3S)-oxolan-3-yl]propan-1-one
CID 58423021
2-cyclopropyl-1-(oxan-3-yl)propan-1-one
CID 107138628
(2S)-2-bromo-1-[(3R)-oxolan-3-yl]propan-1-one
CID 124710732
2-amino-3-methyl-1-(oxolan-3-yl)butan-1-one
CID 116548922
2-amino-3-methyl-1-(oxolan-3-yl)pentan-1-one
CID 116552686
2-(azetidin-3-yl)-1-(oxolan-3-yl)ethanone
CID 116582222
3-(ethylamino)-2-methyl-1-(oxolan-3-yl)propan-1-one
CID 116565198
N-(1-pyrrolidin-3-ylethyl)oxane-4-carboxamide
CID 103977188
2-cyclopropyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 115787764
N-[(2R)-2-hydroxypropyl]oxolane-3-carboxamide
CID 83032356
oxolan-3-yl(pyrrolidin-3-yl)methanone
CID 116568253
1-(oxolan-3-yl)-2-pyridin-4-ylpropan-1-one
CID 66469229

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(oxolan-3-yl)propan-1-one?
The IUPAC name of 2-(azetidin-3-yl)-1-(oxolan-3-yl)propan-1-one (CID 116680683) is 2-(azetidin-3-yl)-1-(oxolan-3-yl)propan-1-one.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(oxolan-3-yl)propan-1-one?
The canonical SMILES for 2-(azetidin-3-yl)-1-(oxolan-3-yl)propan-1-one is CC(C(=O)C1CCOC1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(oxolan-3-yl)propan-1-one?
The InChIKey is IPIPDVXPWXJUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(9-4-11-5-9)10(12)8-2-3-13-6-8/h7-9,11H,2-6H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-1-(oxolan-3-yl)propan-1-one?
2-(azetidin-3-yl)-1-(oxolan-3-yl)propan-1-one has a molecular weight of 183.25 g/mol, XLogP of 0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-(oxolan-3-yl)propan-1-one is sourced from PubChem (CID 116680683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).