3,5-dimethyl-1-morpholin-4-ylhex-4-en-1-one

C12H21NO2 — CID 142565851

IUPAC3,5-dimethyl-1-morpholin-4-ylhex-4-en-1-one
SMILESCC(C)=CC(C)CC(=O)N1CCOCC1
InChIInChI=1S/C12H21NO2/c1-10(2)8-11(3)9-12(14)13-4-6-15-7-5-13/h8,11H,4-7,9H2,1-3H3
InChIKeyKUWODMVWOOTGCY-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.84
Rot. Bonds3

About 3,5-dimethyl-1-morpholin-4-ylhex-4-en-1-one

3,5-dimethyl-1-morpholin-4-ylhex-4-en-1-one (PubChem CID 142565851) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3,5-dimethyl-1-morpholin-4-ylhex-4-en-1-one.

Molecular Properties

Compound Name3,5-dimethyl-1-morpholin-4-ylhex-4-en-1-one
PubChem CID142565851
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3,5-dimethyl-1-morpholin-4-ylhex-4-en-1-one
SMILESCC(C)=CC(C)CC(=O)N1CCOCC1
InChIInChI=1S/C12H21NO2/c1-10(2)8-11(3)9-12(14)13-4-6-15-7-5-13/h8,11H,4-7,9H2,1-3H3
InChIKeyKUWODMVWOOTGCY-UHFFFAOYSA-N
XLogP1.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.84
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

(4Z,7Z,10Z,13Z,16Z,19Z)-1-morpholin-4-yldocosa-4,7,10,13,16,19-hexaen-1-one
CID 90071172
Cyclohex-3-en-1-yl(morpholino)methanone
CID 12760863
(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
(E)-2-methyl-1-morpholin-4-ylpent-2-en-1-one
CID 14773869
(2S,3R)-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 100990980
(E)-1-morpholin-4-yl-2-propylhex-2-en-1-one
CID 101466463
(E)-2-but-3-enyl-1-morpholin-4-ylhex-2-en-1-one
CID 134897999
(E)-1-morpholin-4-yloct-4-en-1-one
CID 166437933
Cyclopent-3-en-1-yl-[2-(fluoromethyl)morpholin-4-yl]methanone
CID 126794038
4-[6-Methyl-3-cyclohexenecarboxyl]morpholine
CID 610576

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-morpholin-4-ylhex-4-en-1-one?
The IUPAC name of 3,5-dimethyl-1-morpholin-4-ylhex-4-en-1-one (CID 142565851) is 3,5-dimethyl-1-morpholin-4-ylhex-4-en-1-one.
What is the SMILES notation for 3,5-dimethyl-1-morpholin-4-ylhex-4-en-1-one?
The canonical SMILES for 3,5-dimethyl-1-morpholin-4-ylhex-4-en-1-one is CC(C)=CC(C)CC(=O)N1CCOCC1.
What is the InChIKey of 3,5-dimethyl-1-morpholin-4-ylhex-4-en-1-one?
The InChIKey is KUWODMVWOOTGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(2)8-11(3)9-12(14)13-4-6-15-7-5-13/h8,11H,4-7,9H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-morpholin-4-ylhex-4-en-1-one?
3,5-dimethyl-1-morpholin-4-ylhex-4-en-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-morpholin-4-ylhex-4-en-1-one is sourced from PubChem (CID 142565851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).