1-(azetidin-3-yl)-2-(dimethylamino)ethanone

C7H14N2O — CID 115007087

IUPAC1-(azetidin-3-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)C1CNC1
InChIInChI=1S/C7H14N2O/c1-9(2)5-7(10)6-3-8-4-6/h6,8H,3-5H2,1-2H3
InChIKeyXITHYZMKLLOLCL-UHFFFAOYSA-N
MW142.20 g/mol
LogP-0.66
Rot. Bonds3

About 1-(azetidin-3-yl)-2-(dimethylamino)ethanone

1-(azetidin-3-yl)-2-(dimethylamino)ethanone (PubChem CID 115007087) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-(azetidin-3-yl)-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-(azetidin-3-yl)-2-(dimethylamino)ethanone
PubChem CID115007087
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-(azetidin-3-yl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)C1CNC1
InChIInChI=1S/C7H14N2O/c1-9(2)5-7(10)6-3-8-4-6/h6,8H,3-5H2,1-2H3
InChIKeyXITHYZMKLLOLCL-UHFFFAOYSA-N
XLogP-0.66
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azetidin-3-yl)propan-1-one;hydrochloride
CID 142435570
2-(dimethylamino)-1-(oxan-4-yl)ethanone
CID 79077529
N,N-dimethylazetidine-3-carboxamide;hydrochloride
CID 53308702
methyl 3-(azetidin-3-yl)-3-oxopropanoate
CID 71648241
N-(2-amino-2-oxoethyl)-N-ethylazetidine-3-carboxamide
CID 103101813
2-(dimethylamino)-1-(3-ethylcyclohexyl)ethanone
CID 79078321
N-(azetidin-3-yl)-2-(dimethylamino)-N-(oxetan-3-yl)acetamide
CID 165448311
1-(azetidin-3-yl)-4-methylsulfonylbutan-1-one
CID 116583656
2-[azetidin-3-yl(methyl)amino]acetic acid;dihydrochloride
CID 146154016
1-(azetidin-3-yl)-2-piperidin-1-ylethanone
CID 115007089
N,N-dimethyl-1,4-diazepane-6-carboxamide
CID 23090095
1-(5-methylpiperidin-3-yl)propan-1-one
CID 130940115

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-3-yl)-2-(dimethylamino)ethanone?
The IUPAC name of 1-(azetidin-3-yl)-2-(dimethylamino)ethanone (CID 115007087) is 1-(azetidin-3-yl)-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-(azetidin-3-yl)-2-(dimethylamino)ethanone?
The canonical SMILES for 1-(azetidin-3-yl)-2-(dimethylamino)ethanone is CN(C)CC(=O)C1CNC1.
What is the InChIKey of 1-(azetidin-3-yl)-2-(dimethylamino)ethanone?
The InChIKey is XITHYZMKLLOLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-9(2)5-7(10)6-3-8-4-6/h6,8H,3-5H2,1-2H3.
What are the key properties of 1-(azetidin-3-yl)-2-(dimethylamino)ethanone?
1-(azetidin-3-yl)-2-(dimethylamino)ethanone has a molecular weight of 142.20 g/mol, XLogP of -0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-3-yl)-2-(dimethylamino)ethanone is sourced from PubChem (CID 115007087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).