2-methylidene-1-morpholin-4-ylbutan-1-one

C9H15NO2 — CID 90856738

IUPAC2-methylidene-1-morpholin-4-ylbutan-1-one
SMILESC=C(CC)C(=O)N1CCOCC1
InChIInChI=1S/C9H15NO2/c1-3-8(2)9(11)10-4-6-12-7-5-10/h2-7H2,1H3
InChIKeyYRAGIAPTWFXZBG-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.81
Rot. Bonds2

About 2-methylidene-1-morpholin-4-ylbutan-1-one

2-methylidene-1-morpholin-4-ylbutan-1-one (PubChem CID 90856738) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-methylidene-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-methylidene-1-morpholin-4-ylbutan-1-one
PubChem CID90856738
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-methylidene-1-morpholin-4-ylbutan-1-one
SMILESC=C(CC)C(=O)N1CCOCC1
InChIInChI=1S/C9H15NO2/c1-3-8(2)9(11)10-4-6-12-7-5-10/h2-7H2,1H3
InChIKeyYRAGIAPTWFXZBG-UHFFFAOYSA-N
XLogP0.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

N-Methacryloylmorpholine
CID 78796
(E)-4-(2-Methyl-1-oxo-2-butenyl)morpholine
CID 5325335
3-Fluoro-2-methylidene-1-morpholin-4-ylbut-3-en-1-one
CID 123987196
2-Methylidene-1,4-dimorpholinobutane-1,4-dione
CID 2735525
(E)-2-methyl-1-morpholin-4-ylpent-2-en-1-one
CID 14773869
(E)-2,4,4-trimethyl-1-morpholin-4-ylpent-2-en-1-one
CID 102594206
Morpholine, 4-[(2E)-2-methyl-1-oxo-2-butenyl]-
CID 3029424
2-Methylidene-1-morpholin-4-ylbut-3-en-1-one
CID 10511287
2-Methylidene-4-morpholin-4-ylbutanamide
CID 19017357
1-(2,6-Dimethylmorpholin-4-yl)-2-methylprop-2-en-1-one
CID 19872357
2-Ethyl-3-methyl-1-morpholin-4-ylbut-2-en-1-one
CID 20674242
(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-morpholin-4-ylmethanone
CID 20756948

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 2-methylidene-1-morpholin-4-ylbutan-1-one (CID 90856738) is 2-methylidene-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-methylidene-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 2-methylidene-1-morpholin-4-ylbutan-1-one is C=C(CC)C(=O)N1CCOCC1.
What is the InChIKey of 2-methylidene-1-morpholin-4-ylbutan-1-one?
The InChIKey is YRAGIAPTWFXZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-8(2)9(11)10-4-6-12-7-5-10/h2-7H2,1H3.
What are the key properties of 2-methylidene-1-morpholin-4-ylbutan-1-one?
2-methylidene-1-morpholin-4-ylbutan-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 90856738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).