azetidin-3-yl-(3-methylazetidin-1-yl)methanone

C8H14N2O — CID 164653902

IUPACazetidin-3-yl-(3-methylazetidin-1-yl)methanone
SMILESCC1CN(C(=O)C2CNC2)C1
InChIInChI=1S/C8H14N2O/c1-6-4-10(5-6)8(11)7-2-9-3-7/h6-7,9H,2-5H2,1H3
InChIKeyXKIPOOFFKXAGFI-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.32
Rot. Bonds1

About azetidin-3-yl-(3-methylazetidin-1-yl)methanone

azetidin-3-yl-(3-methylazetidin-1-yl)methanone (PubChem CID 164653902) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is azetidin-3-yl-(3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Nameazetidin-3-yl-(3-methylazetidin-1-yl)methanone
PubChem CID164653902
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Nameazetidin-3-yl-(3-methylazetidin-1-yl)methanone
SMILESCC1CN(C(=O)C2CNC2)C1
InChIInChI=1S/C8H14N2O/c1-6-4-10(5-6)8(11)7-2-9-3-7/h6-7,9H,2-5H2,1H3
InChIKeyXKIPOOFFKXAGFI-UHFFFAOYSA-N
XLogP-0.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

azetidin-3-yl-[3-(hydroxymethyl)-4-methylpyrrolidin-1-yl]methanone
CID 121202562
azetidin-3-yl-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]methanone
CID 129380965
azetidin-3-yl-(3-fluoro-4-methylpiperidin-1-yl)methanone;hydrochloride
CID 130747930
(5-methylpiperidin-3-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66372244
azetidin-3-yl-[3-(methoxymethyl)-4-methylpyrrolidin-1-yl]methanone
CID 121202605
azetidin-3-yl-[3-(difluoromethyl)azetidin-1-yl]methanone;hydrochloride
CID 130697519
azetidin-3-yl-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)methanone
CID 130949562
azetidin-3-yl-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219278
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-piperidin-3-ylmethanone
CID 103840886
(2,6-dimethylmorpholin-4-yl)-[(3S)-piperidin-3-yl]methanone
CID 81123196
(4-methylpiperidin-1-yl)-pyrrolidin-3-ylmethanone;hydrochloride
CID 75419424
(4-hydroxy-4-methylpiperidin-1-yl)-(5-methylpiperidin-3-yl)methanone
CID 81116250

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(3-methylazetidin-1-yl)methanone?
The IUPAC name of azetidin-3-yl-(3-methylazetidin-1-yl)methanone (CID 164653902) is azetidin-3-yl-(3-methylazetidin-1-yl)methanone.
What is the SMILES notation for azetidin-3-yl-(3-methylazetidin-1-yl)methanone?
The canonical SMILES for azetidin-3-yl-(3-methylazetidin-1-yl)methanone is CC1CN(C(=O)C2CNC2)C1.
What is the InChIKey of azetidin-3-yl-(3-methylazetidin-1-yl)methanone?
The InChIKey is XKIPOOFFKXAGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-6-4-10(5-6)8(11)7-2-9-3-7/h6-7,9H,2-5H2,1H3.
What are the key properties of azetidin-3-yl-(3-methylazetidin-1-yl)methanone?
azetidin-3-yl-(3-methylazetidin-1-yl)methanone has a molecular weight of 154.21 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 164653902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).