1-(2,4-dimethylmorpholin-3-yl)prop-2-en-1-one

C9H15NO2 — CID 169224435

IUPAC1-(2,4-dimethylmorpholin-3-yl)prop-2-en-1-one
SMILESC=CC(=O)C1C(C)OCCN1C
InChIInChI=1S/C9H15NO2/c1-4-8(11)9-7(2)12-6-5-10(9)3/h4,7,9H,1,5-6H2,2-3H3
InChIKeyIIRFVZWORZURBW-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.46
Rot. Bonds2

About 1-(2,4-dimethylmorpholin-3-yl)prop-2-en-1-one

1-(2,4-dimethylmorpholin-3-yl)prop-2-en-1-one (PubChem CID 169224435) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(2,4-dimethylmorpholin-3-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2,4-dimethylmorpholin-3-yl)prop-2-en-1-one
PubChem CID169224435
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(2,4-dimethylmorpholin-3-yl)prop-2-en-1-one
SMILESC=CC(=O)C1C(C)OCCN1C
InChIInChI=1S/C9H15NO2/c1-4-8(11)9-7(2)12-6-5-10(9)3/h4,7,9H,1,5-6H2,2-3H3
InChIKeyIIRFVZWORZURBW-UHFFFAOYSA-N
XLogP0.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylmorpholin-2-yl)prop-2-en-1-one;prop-2-enamide
CID 174939125
ethane;(2R)-2,3,4-trimethylmorpholine
CID 143986046
1-(1-methyl-3-propylpiperidin-2-yl)prop-2-en-1-one
CID 168877589
4-acetyl-2-methylmorpholine-3-carboxylic acid
CID 118137411
[(2S,3S)-2,4-dimethylmorpholin-3-yl]methanol
CID 155290860
(2R,3S)-4-ethyl-2-methylmorpholine-3-carboxamide
CID 126987751
4-(2-chloroprop-2-enyl)-2-methylmorpholine-3-carboxylic acid
CID 130605069
(2R,3R)-3-ethyl-2,4-dimethylmorpholine
CID 118134338
4-methyl-2-prop-2-enoylmorpholine-3,5-dione
CID 169224432
2-methyl-4-(methylcarbamoyl)morpholine-3-carboxylic acid
CID 131151267
(2R,3S)-4-(3-hydroxy-3-methylbutyl)-2-methylmorpholine-3-carboxamide
CID 128986958
(2R,3S)-4-(2-ethoxyethyl)-2-methylmorpholine-3-carboxamide
CID 128986897

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylmorpholin-3-yl)prop-2-en-1-one?
The IUPAC name of 1-(2,4-dimethylmorpholin-3-yl)prop-2-en-1-one (CID 169224435) is 1-(2,4-dimethylmorpholin-3-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(2,4-dimethylmorpholin-3-yl)prop-2-en-1-one?
The canonical SMILES for 1-(2,4-dimethylmorpholin-3-yl)prop-2-en-1-one is C=CC(=O)C1C(C)OCCN1C.
What is the InChIKey of 1-(2,4-dimethylmorpholin-3-yl)prop-2-en-1-one?
The InChIKey is IIRFVZWORZURBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-8(11)9-7(2)12-6-5-10(9)3/h4,7,9H,1,5-6H2,2-3H3.
What are the key properties of 1-(2,4-dimethylmorpholin-3-yl)prop-2-en-1-one?
1-(2,4-dimethylmorpholin-3-yl)prop-2-en-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylmorpholin-3-yl)prop-2-en-1-one is sourced from PubChem (CID 169224435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).