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

C9H17NO3 — CID 115588328

IUPAC2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one
SMILESCOC(C)C(=O)N1CCOCC1C
InChIInChI=1S/C9H17NO3/c1-7-6-13-5-4-10(7)9(11)8(2)12-3/h7-8H,4-6H2,1-3H3
InChIKeyMDRCUZHUFYONHD-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.27
Rot. Bonds2

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

2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one (PubChem CID 115588328) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one
PubChem CID115588328
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one
SMILESCOC(C)C(=O)N1CCOCC1C
InChIInChI=1S/C9H17NO3/c1-7-6-13-5-4-10(7)9(11)8(2)12-3/h7-8H,4-6H2,1-3H3
InChIKeyMDRCUZHUFYONHD-UHFFFAOYSA-N
XLogP0.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 130847241
methyl 3-methylmorpholine-4-carboxylate
CID 110292243
2-methoxy-1-(2-methylazetidin-1-yl)propan-1-one
CID 130709295
(2R)-2-amino-3-methyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 93111667
2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one
CID 106774404
(2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one
CID 103928483
2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 106774483
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
2-chloro-1-(3-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 127001228
N'-hydroxy-3-methyl-2-(3-methylmorpholine-4-carbonyl)butanimidamide
CID 76926390
2-hydroxy-1-(3-methylmorpholin-4-yl)-2-phenylethanone
CID 111432313
2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone
CID 43542226

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one?
The IUPAC name of 2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one (CID 115588328) is 2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one is COC(C)C(=O)N1CCOCC1C.
What is the InChIKey of 2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one?
The InChIKey is MDRCUZHUFYONHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7-6-13-5-4-10(7)9(11)8(2)12-3/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one?
2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one has a molecular weight of 187.24 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(3-methylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 115588328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).