1-(4-methylmorpholin-2-yl)prop-2-en-1-one;prop-2-enamide

C11H18N2O3 — CID 174939125

IUPAC1-(4-methylmorpholin-2-yl)prop-2-en-1-one;prop-2-enamide
SMILESC=CC(=O)C1CN(C)CCO1.C=CC(N)=O
InChIInChI=1S/C8H13NO2.C3H5NO/c1-3-7(10)8-6-9(2)4-5-11-8;1-2-3(4)5/h3,8H,1,4-6H2,2H3;2H,1H2,(H2,4,5)
InChIKeyFWNYYSZDCWXXJF-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.27
Rot. Bonds3

About 1-(4-methylmorpholin-2-yl)prop-2-en-1-one;prop-2-enamide

1-(4-methylmorpholin-2-yl)prop-2-en-1-one;prop-2-enamide (PubChem CID 174939125) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(4-methylmorpholin-2-yl)prop-2-en-1-one;prop-2-enamide.

Molecular Properties

Compound Name1-(4-methylmorpholin-2-yl)prop-2-en-1-one;prop-2-enamide
PubChem CID174939125
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-(4-methylmorpholin-2-yl)prop-2-en-1-one;prop-2-enamide
SMILESC=CC(=O)C1CN(C)CCO1.C=CC(N)=O
InChIInChI=1S/C8H13NO2.C3H5NO/c1-3-7(10)8-6-9(2)4-5-11-8;1-2-3(4)5/h3,8H,1,4-6H2,2H3;2H,1H2,(H2,4,5)
InChIKeyFWNYYSZDCWXXJF-UHFFFAOYSA-N
XLogP-0.27
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-ethenylpiperidin-2-one;1-(4-methylmorpholin-2-yl)prop-2-en-1-one
CID 174873482
(4-methylmorpholine-2-carbonyl)-λ2-stannane
CID 174736409
(2S)-N'-hydroxy-4-methylmorpholine-2-carboximidamide
CID 97045084
4-methylmorpholine-2-carbohydrazide;dihydrochloride
CID 130652478
2-methyl-1-[(2R)-4-methylmorpholin-2-yl]propan-1-one
CID 170610121
1-(4-methylmorpholin-2-yl)oct-7-en-1-one
CID 107008310
4-methylmorpholine-2-carboximidamide
CID 75481075
4-(trideuteriomethyl)morpholine-2-carboxamide
CID 175784003
1-(4-methylmorpholin-2-yl)prop-2-yn-1-one
CID 79078405
2-cyclopentyl-1-(4-methylmorpholin-2-yl)ethanone
CID 79077507
4-[(4-methylmorpholin-2-yl)methyl]morpholine-2-carboxamide
CID 175806629
1-(4-methylmorpholin-2-yl)tridecan-1-one
CID 79077559

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylmorpholin-2-yl)prop-2-en-1-one;prop-2-enamide?
The IUPAC name of 1-(4-methylmorpholin-2-yl)prop-2-en-1-one;prop-2-enamide (CID 174939125) is 1-(4-methylmorpholin-2-yl)prop-2-en-1-one;prop-2-enamide.
What is the SMILES notation for 1-(4-methylmorpholin-2-yl)prop-2-en-1-one;prop-2-enamide?
The canonical SMILES for 1-(4-methylmorpholin-2-yl)prop-2-en-1-one;prop-2-enamide is C=CC(=O)C1CN(C)CCO1.C=CC(N)=O.
What is the InChIKey of 1-(4-methylmorpholin-2-yl)prop-2-en-1-one;prop-2-enamide?
The InChIKey is FWNYYSZDCWXXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.C3H5NO/c1-3-7(10)8-6-9(2)4-5-11-8;1-2-3(4)5/h3,8H,1,4-6H2,2H3;2H,1H2,(H2,4,5).
What are the key properties of 1-(4-methylmorpholin-2-yl)prop-2-en-1-one;prop-2-enamide?
1-(4-methylmorpholin-2-yl)prop-2-en-1-one;prop-2-enamide has a molecular weight of 226.28 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylmorpholin-2-yl)prop-2-en-1-one;prop-2-enamide is sourced from PubChem (CID 174939125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).