2-(azetidin-3-yl)-1-(2-methylmorpholin-4-yl)propan-1-one

C11H20N2O2 — CID 116674265

IUPAC2-(azetidin-3-yl)-1-(2-methylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)C2CNC2)CCO1
InChIInChI=1S/C11H20N2O2/c1-8-7-13(3-4-15-8)11(14)9(2)10-5-12-6-10/h8-10,12H,3-7H2,1-2H3
InChIKeyNIGLLIUSHUWMMR-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.09
Rot. Bonds2

About 2-(azetidin-3-yl)-1-(2-methylmorpholin-4-yl)propan-1-one

2-(azetidin-3-yl)-1-(2-methylmorpholin-4-yl)propan-1-one (PubChem CID 116674265) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(2-methylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(2-methylmorpholin-4-yl)propan-1-one
PubChem CID116674265
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(azetidin-3-yl)-1-(2-methylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)C2CNC2)CCO1
InChIInChI=1S/C11H20N2O2/c1-8-7-13(3-4-15-8)11(14)9(2)10-5-12-6-10/h8-10,12H,3-7H2,1-2H3
InChIKeyNIGLLIUSHUWMMR-UHFFFAOYSA-N
XLogP0.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(azetidin-3-yl)propanoyl]morpholin-2-yl]acetic acid
CID 116678324
2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one
CID 24698951
(2S)-2-amino-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 61148534
(2R)-2-amino-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 79011523
(2S)-2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
CID 61148533
1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119698721
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-1-[(2R)-2-methylmorpholin-4-yl]butan-1-one
CID 124826397
(2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide
CID 167135155
2-(azetidin-3-yl)-1-(4,4-dimethylpiperidin-1-yl)propan-1-one
CID 116677760
2-(azetidin-3-yl)-1-(4-methylazepan-1-yl)propan-1-one
CID 116677899
1-(2-methylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
CID 119698730
methyl 4-(2-cyclopropylpropanoyl)morpholine-2-carboxylate
CID 79506957

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(2-methylmorpholin-4-yl)propan-1-one?
The IUPAC name of 2-(azetidin-3-yl)-1-(2-methylmorpholin-4-yl)propan-1-one (CID 116674265) is 2-(azetidin-3-yl)-1-(2-methylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(2-methylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-(azetidin-3-yl)-1-(2-methylmorpholin-4-yl)propan-1-one is CC1CN(C(=O)C(C)C2CNC2)CCO1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(2-methylmorpholin-4-yl)propan-1-one?
The InChIKey is NIGLLIUSHUWMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-7-13(3-4-15-8)11(14)9(2)10-5-12-6-10/h8-10,12H,3-7H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-1-(2-methylmorpholin-4-yl)propan-1-one?
2-(azetidin-3-yl)-1-(2-methylmorpholin-4-yl)propan-1-one has a molecular weight of 212.29 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-(2-methylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 116674265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).