2-(hydroxymethyl)-1-(3-methylmorpholin-4-yl)prop-2-en-1-one

C9H15NO3 — CID 131132260

IUPAC2-(hydroxymethyl)-1-(3-methylmorpholin-4-yl)prop-2-en-1-one
SMILESC=C(CO)C(=O)N1CCOCC1C
InChIInChI=1S/C9H15NO3/c1-7(5-11)9(12)10-3-4-13-6-8(10)2/h8,11H,1,3-6H2,2H3
InChIKeyIJOXHIYKVNVOHB-UHFFFAOYSA-N
MW185.22 g/mol
LogP-0.22
Rot. Bonds2

About 2-(hydroxymethyl)-1-(3-methylmorpholin-4-yl)prop-2-en-1-one

2-(hydroxymethyl)-1-(3-methylmorpholin-4-yl)prop-2-en-1-one (PubChem CID 131132260) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-(hydroxymethyl)-1-(3-methylmorpholin-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-1-(3-methylmorpholin-4-yl)prop-2-en-1-one
PubChem CID131132260
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-(hydroxymethyl)-1-(3-methylmorpholin-4-yl)prop-2-en-1-one
SMILESC=C(CO)C(=O)N1CCOCC1C
InChIInChI=1S/C9H15NO3/c1-7(5-11)9(12)10-3-4-13-6-8(10)2/h8,11H,1,3-6H2,2H3
InChIKeyIJOXHIYKVNVOHB-UHFFFAOYSA-N
XLogP-0.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-prop-1-en-2-ylmorpholine
CID 145355299
methyl 3-methylmorpholine-4-carboxylate
CID 110292243
2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone
CID 43542226
1-(3-methylmorpholin-4-yl)prop-2-en-1-one;prop-1-ene
CID 171499293
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
1-(3-methylmorpholin-4-yl)-3-sulfanylpropan-1-one
CID 107022927
2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one
CID 103429510
3-methyl-1-(3-methylmorpholin-4-yl)but-2-en-1-one
CID 130157030
(2R)-2-amino-3-methyl-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 93111667
[(3S)-3-methylmorpholin-4-yl]-(oxan-4-yl)methanone
CID 95614757
[(3S)-3-methylmorpholin-4-yl]-(oxolan-3-yl)methanone
CID 130180210
2-amino-1-[(3R)-3-methylmorpholin-4-yl]butan-1-one
CID 106774483

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-1-(3-methylmorpholin-4-yl)prop-2-en-1-one?
The IUPAC name of 2-(hydroxymethyl)-1-(3-methylmorpholin-4-yl)prop-2-en-1-one (CID 131132260) is 2-(hydroxymethyl)-1-(3-methylmorpholin-4-yl)prop-2-en-1-one.
What is the SMILES notation for 2-(hydroxymethyl)-1-(3-methylmorpholin-4-yl)prop-2-en-1-one?
The canonical SMILES for 2-(hydroxymethyl)-1-(3-methylmorpholin-4-yl)prop-2-en-1-one is C=C(CO)C(=O)N1CCOCC1C.
What is the InChIKey of 2-(hydroxymethyl)-1-(3-methylmorpholin-4-yl)prop-2-en-1-one?
The InChIKey is IJOXHIYKVNVOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-7(5-11)9(12)10-3-4-13-6-8(10)2/h8,11H,1,3-6H2,2H3.
What are the key properties of 2-(hydroxymethyl)-1-(3-methylmorpholin-4-yl)prop-2-en-1-one?
2-(hydroxymethyl)-1-(3-methylmorpholin-4-yl)prop-2-en-1-one has a molecular weight of 185.22 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-1-(3-methylmorpholin-4-yl)prop-2-en-1-one is sourced from PubChem (CID 131132260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).