1-(3,5-dimethylmorpholin-4-yl)prop-2-en-1-one

C9H15NO2 — CID 20574637

IUPAC1-(3,5-dimethylmorpholin-4-yl)prop-2-en-1-one
SMILESC=CC(=O)N1C(C)COCC1C
InChIInChI=1S/C9H15NO2/c1-4-9(11)10-7(2)5-12-6-8(10)3/h4,7-8H,1,5-6H2,2-3H3
InChIKeyRLNGVHUOVBHUJY-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.81
Rot. Bonds1

About 1-(3,5-dimethylmorpholin-4-yl)prop-2-en-1-one

1-(3,5-dimethylmorpholin-4-yl)prop-2-en-1-one (PubChem CID 20574637) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(3,5-dimethylmorpholin-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylmorpholin-4-yl)prop-2-en-1-one
PubChem CID20574637
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(3,5-dimethylmorpholin-4-yl)prop-2-en-1-one
SMILESC=CC(=O)N1C(C)COCC1C
InChIInChI=1S/C9H15NO2/c1-4-9(11)10-7(2)5-12-6-8(10)3/h4,7-8H,1,5-6H2,2-3H3
InChIKeyRLNGVHUOVBHUJY-UHFFFAOYSA-N
XLogP0.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Acryloylmorpholine
CID 98723
Morpholine, 4-(1-oxo-2-butenyl)-
CID 5463262
n,n-Bis(2-methoxyethyl)acrylamide
CID 10035367
3-Fluoro-1-morpholin-4-ylprop-2-en-1-one
CID 141042230
(E)-4-fluoro-1-morpholin-4-ylbut-2-en-1-one
CID 145199916
(E)-3-fluoro-1-morpholin-4-ylprop-2-en-1-one
CID 146499059
(z,e)-3-Methoxy-1-morpholinoprop-2-en-1-one
CID 129754047
N-Sorboylmorpholine
CID 13405154
1-[2-(Fluoromethyl)morpholin-4-yl]prop-2-en-1-one
CID 132317206
1-[3-(2,2-Difluoroethyl)morpholin-4-yl]prop-2-en-1-one
CID 145876008
rac-1-[(2R,3R)-3-methyl-2-(trifluoromethyl)morpholin-4-yl]prop-2-en-1-one
CID 165785119
1-[3-(Difluoromethyl)morpholin-4-yl]prop-2-en-1-one
CID 171499404

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylmorpholin-4-yl)prop-2-en-1-one?
The IUPAC name of 1-(3,5-dimethylmorpholin-4-yl)prop-2-en-1-one (CID 20574637) is 1-(3,5-dimethylmorpholin-4-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(3,5-dimethylmorpholin-4-yl)prop-2-en-1-one?
The canonical SMILES for 1-(3,5-dimethylmorpholin-4-yl)prop-2-en-1-one is C=CC(=O)N1C(C)COCC1C.
What is the InChIKey of 1-(3,5-dimethylmorpholin-4-yl)prop-2-en-1-one?
The InChIKey is RLNGVHUOVBHUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-9(11)10-7(2)5-12-6-8(10)3/h4,7-8H,1,5-6H2,2-3H3.
What are the key properties of 1-(3,5-dimethylmorpholin-4-yl)prop-2-en-1-one?
1-(3,5-dimethylmorpholin-4-yl)prop-2-en-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylmorpholin-4-yl)prop-2-en-1-one is sourced from PubChem (CID 20574637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).