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

C6H11NO — CID 91315786

IUPAC1-(azetidin-2-yl)propan-2-one
SMILESCC(=O)CC1CCN1
InChIInChI=1S/C6H11NO/c1-5(8)4-6-2-3-7-6/h6-7H,2-4H2,1H3
InChIKeyIXIBVKACEQOEIF-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.33
Rot. Bonds2

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

1-(azetidin-2-yl)propan-2-one (PubChem CID 91315786) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 1-(azetidin-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(azetidin-2-yl)propan-2-one
PubChem CID91315786
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name1-(azetidin-2-yl)propan-2-one
SMILESCC(=O)CC1CCN1
InChIInChI=1S/C6H11NO/c1-5(8)4-6-2-3-7-6/h6-7H,2-4H2,1H3
InChIKeyIXIBVKACEQOEIF-UHFFFAOYSA-N
XLogP0.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-pyrrolidin-2-ylpropan-2-one
CID 45085262
1-[(2R)-azepan-2-yl]propan-2-one
CID 97048950
1-(4-tert-butylpiperidin-2-yl)propan-2-one
CID 141080889
2-[(2R)-azetidin-2-yl]-N,N-dimethylacetamide;hydrochloride
CID 118994739
1-(azetidin-2-yl)-4-methylpentan-2-one
CID 105430403
4-(2-oxopropyl)azetidin-2-one
CID 10887909
1-[(2S,3R)-3-hydroxypiperidin-2-yl]propan-2-one
CID 130847336
1-(1,2,3,4-tetrahydropyridin-2-yl)propan-2-one
CID 67693750
1-hydroxy-3-pyrrolidin-2-ylpropan-2-one
CID 123192463
bis((2S)-2-(methoxymethyl)azetidine);oxalic acid
CID 91826002
methyl 2-(1,4-diazepan-5-yl)acetate
CID 23090340
1-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-3-yl)propan-2-one
CID 82407616

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-2-yl)propan-2-one?
The IUPAC name of 1-(azetidin-2-yl)propan-2-one (CID 91315786) is 1-(azetidin-2-yl)propan-2-one.
What is the SMILES notation for 1-(azetidin-2-yl)propan-2-one?
The canonical SMILES for 1-(azetidin-2-yl)propan-2-one is CC(=O)CC1CCN1.
What is the InChIKey of 1-(azetidin-2-yl)propan-2-one?
The InChIKey is IXIBVKACEQOEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5(8)4-6-2-3-7-6/h6-7H,2-4H2,1H3.
What are the key properties of 1-(azetidin-2-yl)propan-2-one?
1-(azetidin-2-yl)propan-2-one has a molecular weight of 113.16 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-2-yl)propan-2-one is sourced from PubChem (CID 91315786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).