2-methyl-1-(4-propan-2-ylmorpholin-2-yl)butan-1-one

C12H23NO2 — CID 79657753

IUPAC2-methyl-1-(4-propan-2-ylmorpholin-2-yl)butan-1-one
SMILESCCC(C)C(=O)C1CN(C(C)C)CCO1
InChIInChI=1S/C12H23NO2/c1-5-10(4)12(14)11-8-13(9(2)3)6-7-15-11/h9-11H,5-8H2,1-4H3
InChIKeyVBFCVKMOROMJQP-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.71
Rot. Bonds4

About 2-methyl-1-(4-propan-2-ylmorpholin-2-yl)butan-1-one

2-methyl-1-(4-propan-2-ylmorpholin-2-yl)butan-1-one (PubChem CID 79657753) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-methyl-1-(4-propan-2-ylmorpholin-2-yl)butan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-propan-2-ylmorpholin-2-yl)butan-1-one
PubChem CID79657753
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-methyl-1-(4-propan-2-ylmorpholin-2-yl)butan-1-one
SMILESCCC(C)C(=O)C1CN(C(C)C)CCO1
InChIInChI=1S/C12H23NO2/c1-5-10(4)12(14)11-8-13(9(2)3)6-7-15-11/h9-11H,5-8H2,1-4H3
InChIKeyVBFCVKMOROMJQP-UHFFFAOYSA-N
XLogP1.71
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-one
CID 79666840
2-methyl-1-(4-methylmorpholin-2-yl)pentan-1-one
CID 107896344
2-(4-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657291
2-methyl-1-[(2R)-4-methylmorpholin-2-yl]propan-1-one
CID 170610121
2-(4-chlorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79664016
3-phenyl-1-(4-propan-2-ylmorpholin-2-yl)propan-1-one
CID 79664689
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-2-methylbutan-1-one
CID 79446491
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79663777
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657756
2-(2-carbamothioylmorpholin-4-yl)butanoic acid
CID 79681392
2-(5-bromothiophen-2-yl)-1-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 79657983
(2-fluorophenyl)-(4-propan-2-ylmorpholin-2-yl)methanone
CID 79658227

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-propan-2-ylmorpholin-2-yl)butan-1-one?
The IUPAC name of 2-methyl-1-(4-propan-2-ylmorpholin-2-yl)butan-1-one (CID 79657753) is 2-methyl-1-(4-propan-2-ylmorpholin-2-yl)butan-1-one.
What is the SMILES notation for 2-methyl-1-(4-propan-2-ylmorpholin-2-yl)butan-1-one?
The canonical SMILES for 2-methyl-1-(4-propan-2-ylmorpholin-2-yl)butan-1-one is CCC(C)C(=O)C1CN(C(C)C)CCO1.
What is the InChIKey of 2-methyl-1-(4-propan-2-ylmorpholin-2-yl)butan-1-one?
The InChIKey is VBFCVKMOROMJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-10(4)12(14)11-8-13(9(2)3)6-7-15-11/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-methyl-1-(4-propan-2-ylmorpholin-2-yl)butan-1-one?
2-methyl-1-(4-propan-2-ylmorpholin-2-yl)butan-1-one has a molecular weight of 213.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-propan-2-ylmorpholin-2-yl)butan-1-one is sourced from PubChem (CID 79657753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).