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

C11H19NO2 — CID 171499293

IUPAC1-(3-methylmorpholin-4-yl)prop-2-en-1-one;prop-1-ene
SMILESC=CC.C=CC(=O)N1CCOCC1C
InChIInChI=1S/C8H13NO2.C3H6/c1-3-8(10)9-4-5-11-6-7(9)2;1-3-2/h3,7H,1,4-6H2,2H3;3H,1H2,2H3
InChIKeyOVWBXTXYRAEHJY-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.61
Rot. Bonds1

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

1-(3-methylmorpholin-4-yl)prop-2-en-1-one;prop-1-ene (PubChem CID 171499293) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(3-methylmorpholin-4-yl)prop-2-en-1-one;prop-1-ene.

Molecular Properties

Compound Name1-(3-methylmorpholin-4-yl)prop-2-en-1-one;prop-1-ene
PubChem CID171499293
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(3-methylmorpholin-4-yl)prop-2-en-1-one;prop-1-ene
SMILESC=CC.C=CC(=O)N1CCOCC1C
InChIInChI=1S/C8H13NO2.C3H6/c1-3-8(10)9-4-5-11-6-7(9)2;1-3-2/h3,7H,1,4-6H2,2H3;3H,1H2,2H3
InChIKeyOVWBXTXYRAEHJY-UHFFFAOYSA-N
XLogP1.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-(3-methylmorpholin-4-yl)but-2-en-1-one
CID 130157030
3-methyl-4-prop-1-en-2-ylmorpholine
CID 145355299
methyl 3-methylmorpholine-4-carboxylate
CID 110292243
2-(hydroxymethyl)-1-(3-methylmorpholin-4-yl)prop-2-en-1-one
CID 131132260
2-hydroxy-2-methyl-1-(3-methylmorpholin-4-yl)propan-1-one
CID 103429510
[(3S)-3-methylmorpholin-4-yl]-(oxan-4-yl)methanone
CID 95614757
[(3S)-3-methylmorpholin-4-yl]-(oxolan-3-yl)methanone
CID 130180210
methane;1-(2-methylpiperidin-1-yl)prop-2-en-1-one
CID 166466257
1-(3-methylmorpholin-4-yl)-3-sulfanylpropan-1-one
CID 107022927
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone
CID 43542226
(3R)-N-tert-butyl-3-methylmorpholine-4-carboxamide
CID 106774167

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylmorpholin-4-yl)prop-2-en-1-one;prop-1-ene?
The IUPAC name of 1-(3-methylmorpholin-4-yl)prop-2-en-1-one;prop-1-ene (CID 171499293) is 1-(3-methylmorpholin-4-yl)prop-2-en-1-one;prop-1-ene.
What is the SMILES notation for 1-(3-methylmorpholin-4-yl)prop-2-en-1-one;prop-1-ene?
The canonical SMILES for 1-(3-methylmorpholin-4-yl)prop-2-en-1-one;prop-1-ene is C=CC.C=CC(=O)N1CCOCC1C.
What is the InChIKey of 1-(3-methylmorpholin-4-yl)prop-2-en-1-one;prop-1-ene?
The InChIKey is OVWBXTXYRAEHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.C3H6/c1-3-8(10)9-4-5-11-6-7(9)2;1-3-2/h3,7H,1,4-6H2,2H3;3H,1H2,2H3.
What are the key properties of 1-(3-methylmorpholin-4-yl)prop-2-en-1-one;prop-1-ene?
1-(3-methylmorpholin-4-yl)prop-2-en-1-one;prop-1-ene has a molecular weight of 197.28 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylmorpholin-4-yl)prop-2-en-1-one;prop-1-ene is sourced from PubChem (CID 171499293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).