4,4-dimethyl-6-methylidene-3-morpholin-4-ylcyclohex-2-en-1-one

C13H19NO2 — CID 57099079

IUPAC4,4-dimethyl-6-methylidene-3-morpholin-4-ylcyclohex-2-en-1-one
SMILESC=C1CC(C)(C)C(N2CCOCC2)=CC1=O
InChIInChI=1S/C13H19NO2/c1-10-9-13(2,3)12(8-11(10)15)14-4-6-16-7-5-14/h8H,1,4-7,9H2,2-3H3
InChIKeyURSAFIWCZRDKIK-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.76
Rot. Bonds1

About 4,4-dimethyl-6-methylidene-3-morpholin-4-ylcyclohex-2-en-1-one

4,4-dimethyl-6-methylidene-3-morpholin-4-ylcyclohex-2-en-1-one (PubChem CID 57099079) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4,4-dimethyl-6-methylidene-3-morpholin-4-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4,4-dimethyl-6-methylidene-3-morpholin-4-ylcyclohex-2-en-1-one
PubChem CID57099079
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4,4-dimethyl-6-methylidene-3-morpholin-4-ylcyclohex-2-en-1-one
SMILESC=C1CC(C)(C)C(N2CCOCC2)=CC1=O
InChIInChI=1S/C13H19NO2/c1-10-9-13(2,3)12(8-11(10)15)14-4-6-16-7-5-14/h8H,1,4-7,9H2,2-3H3
InChIKeyURSAFIWCZRDKIK-UHFFFAOYSA-N
XLogP1.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,5-Dimethyl-3-morpholino-2-cyclohexen-1-one
CID 725658
3-Morpholin-4-ylcyclohex-2-en-1-one
CID 4373344
5,5-Dimethyl-3-(piperidino)cyclohex-2-en-1-one
CID 139441
2-Tert-butyl-5-morpholin-4-ylcyclohexa-2,5-diene-1,4-dione
CID 2315667
3-(2,6-Dimethylmorpholin-4-yl)cyclohex-2-en-1-one
CID 4570259
5,5-Dimethyl-3-{[3-(4-morpholinyl)propyl]amino}-2-cyclohexen-1-one
CID 2837133
5,5-Dimethyl-3-(2-morpholin-4-ylethylamino)cyclohex-2-en-1-one
CID 781026
Cambridge id 5968528
CID 877653
2,6,6-Trimethyl-5-morpholin-4-ylcyclohex-2-en-1-one
CID 12840229
6,6-Dimethyl-3-piperidin-1-ylcyclohex-2-en-1-one
CID 824750
2-Acetyl-5,5-dimethyl-3-(4-morpholinyl)-2-cyclohexen-1-one
CID 5345874
2-Cyclohexen-1-one, 3-(2,6-dimethyl-4-morpholinyl)-5,5-dimethyl-
CID 4686337

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-methylidene-3-morpholin-4-ylcyclohex-2-en-1-one?
The IUPAC name of 4,4-dimethyl-6-methylidene-3-morpholin-4-ylcyclohex-2-en-1-one (CID 57099079) is 4,4-dimethyl-6-methylidene-3-morpholin-4-ylcyclohex-2-en-1-one.
What is the SMILES notation for 4,4-dimethyl-6-methylidene-3-morpholin-4-ylcyclohex-2-en-1-one?
The canonical SMILES for 4,4-dimethyl-6-methylidene-3-morpholin-4-ylcyclohex-2-en-1-one is C=C1CC(C)(C)C(N2CCOCC2)=CC1=O.
What is the InChIKey of 4,4-dimethyl-6-methylidene-3-morpholin-4-ylcyclohex-2-en-1-one?
The InChIKey is URSAFIWCZRDKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-9-13(2,3)12(8-11(10)15)14-4-6-16-7-5-14/h8H,1,4-7,9H2,2-3H3.
What are the key properties of 4,4-dimethyl-6-methylidene-3-morpholin-4-ylcyclohex-2-en-1-one?
4,4-dimethyl-6-methylidene-3-morpholin-4-ylcyclohex-2-en-1-one has a molecular weight of 221.30 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-methylidene-3-morpholin-4-ylcyclohex-2-en-1-one is sourced from PubChem (CID 57099079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).