2-methyl-1-[(2R)-4-methylmorpholin-2-yl]propan-1-one

C9H17NO2 — CID 170610121

IUPAC2-methyl-1-[(2R)-4-methylmorpholin-2-yl]propan-1-one
SMILESCC(C)C(=O)[C@H]1CN(C)CCO1
InChIInChI=1S/C9H17NO2/c1-7(2)9(11)8-6-10(3)4-5-12-8/h7-8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyZVDUYJPJAWOGEJ-MRVPVSSYSA-N
MW171.24 g/mol
LogP0.54
Rot. Bonds2

About 2-methyl-1-[(2R)-4-methylmorpholin-2-yl]propan-1-one

2-methyl-1-[(2R)-4-methylmorpholin-2-yl]propan-1-one (PubChem CID 170610121) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-methyl-1-[(2R)-4-methylmorpholin-2-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[(2R)-4-methylmorpholin-2-yl]propan-1-one
PubChem CID170610121
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name2-methyl-1-[(2R)-4-methylmorpholin-2-yl]propan-1-one
SMILESCC(C)C(=O)[C@H]1CN(C)CCO1
InChIInChI=1S/C9H17NO2/c1-7(2)9(11)8-6-10(3)4-5-12-8/h7-8H,4-6H2,1-3H3/t8-/m1/s1
InChIKeyZVDUYJPJAWOGEJ-MRVPVSSYSA-N
XLogP0.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-(4-methylmorpholin-2-yl)pentan-1-one
CID 107896344
(4-methylmorpholine-2-carbonyl)-λ2-stannane
CID 174736409
1-(4-methylmorpholin-2-yl)prop-2-yn-1-one
CID 79078405
4-methylmorpholine-2-carbohydrazide;dihydrochloride
CID 130652478
2-cyclopentyl-1-(4-methylmorpholin-2-yl)ethanone
CID 79077507
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylmorpholin-2-yl)methanone
CID 71983879
1-(4-methylmorpholin-2-yl)tridecan-1-one
CID 79077559
2-methyl-1-(4-propan-2-ylmorpholin-2-yl)butan-1-one
CID 79657753
1-(4-methylmorpholin-2-yl)prop-2-en-1-one;prop-2-enamide
CID 174939125
(2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide
CID 97045084
2,4-dimethylmorpholine;methanol
CID 156729518
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2R)-4-methylmorpholin-2-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[(2R)-4-methylmorpholin-2-yl]propan-1-one (CID 170610121) is 2-methyl-1-[(2R)-4-methylmorpholin-2-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[(2R)-4-methylmorpholin-2-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[(2R)-4-methylmorpholin-2-yl]propan-1-one is CC(C)C(=O)[C@H]1CN(C)CCO1.
What is the InChIKey of 2-methyl-1-[(2R)-4-methylmorpholin-2-yl]propan-1-one?
The InChIKey is ZVDUYJPJAWOGEJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)9(11)8-6-10(3)4-5-12-8/h7-8H,4-6H2,1-3H3/t8-/m1/s1.
What are the key properties of 2-methyl-1-[(2R)-4-methylmorpholin-2-yl]propan-1-one?
2-methyl-1-[(2R)-4-methylmorpholin-2-yl]propan-1-one has a molecular weight of 171.24 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2R)-4-methylmorpholin-2-yl]propan-1-one is sourced from PubChem (CID 170610121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).