3,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one

C11H19NO2 — CID 54566262

IUPAC3,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
SMILESC=CC(C)(C)CC(=O)N1CCOCC1
InChIInChI=1S/C11H19NO2/c1-4-11(2,3)9-10(13)12-5-7-14-8-6-12/h4H,1,5-9H2,2-3H3
InChIKeyZUAOPOUSNLYNGT-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.45
Rot. Bonds3

About 3,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one

3,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one (PubChem CID 54566262) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
PubChem CID54566262
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
SMILESC=CC(C)(C)CC(=O)N1CCOCC1
InChIInChI=1S/C11H19NO2/c1-4-11(2,3)9-10(13)12-5-7-14-8-6-12/h4H,1,5-9H2,2-3H3
InChIKeyZUAOPOUSNLYNGT-UHFFFAOYSA-N
XLogP1.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-Dimethyl-1-(morpholin-4-yl)butan-1-one
CID 4631078
1-Morpholin-4-ylpent-4-en-1-one
CID 19855871
(2R,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 10987213
2-Methyl-1-morpholin-4-ylpent-4-en-1-one
CID 22628680
(2R,3S)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 44632318
1-[4-(2-Ethoxyethyl)-3-methylpiperazin-1-yl]-2-ethyl-2-methylbut-3-en-1-one
CID 122144585
(2S,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 100990980
(3R)-3-ethenyl-3-methyl-1-morpholin-4-ylheptan-1-one
CID 164675988
(E)-1-morpholin-4-yloct-4-en-1-one
CID 166437933
1-[2-(Fluoromethyl)morpholin-4-yl]-2,2,3-trimethylbut-3-en-1-one
CID 126791121
1-[2-(Fluoromethyl)morpholin-4-yl]-2,2-dimethylbut-3-en-1-one
CID 126794039
2,2-Dimethyl-1-morpholin-4-ylbutan-1-one
CID 4631079

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one?
The IUPAC name of 3,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one (CID 54566262) is 3,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one.
What is the SMILES notation for 3,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one?
The canonical SMILES for 3,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one is C=CC(C)(C)CC(=O)N1CCOCC1.
What is the InChIKey of 3,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one?
The InChIKey is ZUAOPOUSNLYNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-11(2,3)9-10(13)12-5-7-14-8-6-12/h4H,1,5-9H2,2-3H3.
What are the key properties of 3,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one?
3,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one has a molecular weight of 197.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one is sourced from PubChem (CID 54566262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).