1-(azetidin-3-yl)-3-cyclobutylpropan-2-one

C10H17NO — CID 116582225

IUPAC1-(azetidin-3-yl)-3-cyclobutylpropan-2-one
SMILESO=C(CC1CCC1)CC1CNC1
InChIInChI=1S/C10H17NO/c12-10(4-8-2-1-3-8)5-9-6-11-7-9/h8-9,11H,1-7H2
InChIKeyWQVCSGOKDMJIGE-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.36
Rot. Bonds4

About 1-(azetidin-3-yl)-3-cyclobutylpropan-2-one

1-(azetidin-3-yl)-3-cyclobutylpropan-2-one (PubChem CID 116582225) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-3-cyclobutylpropan-2-one.

Molecular Properties

Compound Name1-(azetidin-3-yl)-3-cyclobutylpropan-2-one
PubChem CID116582225
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(azetidin-3-yl)-3-cyclobutylpropan-2-one
SMILESO=C(CC1CCC1)CC1CNC1
InChIInChI=1S/C10H17NO/c12-10(4-8-2-1-3-8)5-9-6-11-7-9/h8-9,11H,1-7H2
InChIKeyWQVCSGOKDMJIGE-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(azetidin-3-yl)-1-cyclobutylethanone
CID 116582434
2-(azetidin-3-yl)-N-(cyclohexylmethyl)acetamide
CID 64615957
1-(oxan-4-yl)-3-pyrrolidin-3-ylpropan-2-one
CID 116583468
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
2-cyclobutylacetyl chloride
CID 14326266
2-(azetidin-3-yl)-N-hydroxyacetamide
CID 64611037
2-(azetidin-3-yl)-N-(2,6-dimethylpiperidin-1-yl)acetamide
CID 83021754
2-(azetidin-3-yl)-1-(oxolan-3-yl)ethanone
CID 116582222
2-cyclopentyl-1-(2,6-dimethylpiperazin-1-yl)ethanone
CID 63911167
2-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]acetamide
CID 103165051
2-(azetidin-3-yl)-1-[3-(hydroxymethyl)piperidin-1-yl]ethanone
CID 64616768

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-3-cyclobutylpropan-2-one?
The IUPAC name of 1-(azetidin-3-yl)-3-cyclobutylpropan-2-one (CID 116582225) is 1-(azetidin-3-yl)-3-cyclobutylpropan-2-one.
What is the SMILES notation for 1-(azetidin-3-yl)-3-cyclobutylpropan-2-one?
The canonical SMILES for 1-(azetidin-3-yl)-3-cyclobutylpropan-2-one is O=C(CC1CCC1)CC1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-3-cyclobutylpropan-2-one?
The InChIKey is WQVCSGOKDMJIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c12-10(4-8-2-1-3-8)5-9-6-11-7-9/h8-9,11H,1-7H2.
What are the key properties of 1-(azetidin-3-yl)-3-cyclobutylpropan-2-one?
1-(azetidin-3-yl)-3-cyclobutylpropan-2-one has a molecular weight of 167.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-3-cyclobutylpropan-2-one is sourced from PubChem (CID 116582225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).