2-(azetidin-3-yl)-1-cyclobutylethanone

C9H15NO — CID 116582434

IUPAC2-(azetidin-3-yl)-1-cyclobutylethanone
SMILESO=C(CC1CNC1)C1CCC1
InChIInChI=1S/C9H15NO/c11-9(8-2-1-3-8)4-7-5-10-6-7/h7-8,10H,1-6H2
InChIKeyDQHQQXYTFUXKCF-UHFFFAOYSA-N
MW153.22 g/mol
LogP0.97
Rot. Bonds3

About 2-(azetidin-3-yl)-1-cyclobutylethanone

2-(azetidin-3-yl)-1-cyclobutylethanone (PubChem CID 116582434) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-cyclobutylethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-cyclobutylethanone
PubChem CID116582434
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name2-(azetidin-3-yl)-1-cyclobutylethanone
SMILESO=C(CC1CNC1)C1CCC1
InChIInChI=1S/C9H15NO/c11-9(8-2-1-3-8)4-7-5-10-6-7/h7-8,10H,1-6H2
InChIKeyDQHQQXYTFUXKCF-UHFFFAOYSA-N
XLogP0.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azetidin-3-yl)-3-cyclobutylpropan-2-one
CID 116582225
2-(azetidin-3-yl)-1-(oxolan-3-yl)ethanone
CID 116582222
3-(azetidin-3-yl)-1-cyclopropylpropan-1-one
CID 58222834
3-[[2-(azetidin-3-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 64610824
1-cyclobutyl-2-(3-ethoxycyclobutyl)ethanone
CID 103168138
2-(azetidin-3-yl)-N-cyclobutyl-N-methylacetamide
CID 115739566
2-(azetidin-3-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 103810444
1-cyclobutyl-2-(1-methylpiperazin-2-yl)ethanone
CID 116920123
2-(azetidin-3-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 130494925
1-(9-azabicyclo[3.3.1]nonan-3-yl)-2-cyclopropylethanone
CID 171938145
1-(3-bicyclo[3.1.0]hexanyl)-2-cyclobutylethanone
CID 114973977
1-cyclopentyl-2-(oxan-3-yl)ethanone
CID 107135385

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-cyclobutylethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-cyclobutylethanone (CID 116582434) is 2-(azetidin-3-yl)-1-cyclobutylethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-cyclobutylethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-cyclobutylethanone is O=C(CC1CNC1)C1CCC1.
What is the InChIKey of 2-(azetidin-3-yl)-1-cyclobutylethanone?
The InChIKey is DQHQQXYTFUXKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c11-9(8-2-1-3-8)4-7-5-10-6-7/h7-8,10H,1-6H2.
What are the key properties of 2-(azetidin-3-yl)-1-cyclobutylethanone?
2-(azetidin-3-yl)-1-cyclobutylethanone has a molecular weight of 153.22 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-cyclobutylethanone is sourced from PubChem (CID 116582434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).