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

C13H19NO2 — CID 57185523

IUPAC4,4-dimethyl-6-methylidene-2-morpholin-4-ylcyclohex-2-en-1-one
SMILESC=C1CC(C)(C)C=C(N2CCOCC2)C1=O
InChIInChI=1S/C13H19NO2/c1-10-8-13(2,3)9-11(12(10)15)14-4-6-16-7-5-14/h9H,1,4-8H2,2-3H3
InChIKeyKJHWISJQWHLIDN-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.76
Rot. Bonds1

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

4,4-dimethyl-6-methylidene-2-morpholin-4-ylcyclohex-2-en-1-one (PubChem CID 57185523) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4,4-dimethyl-6-methylidene-2-morpholin-4-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4,4-dimethyl-6-methylidene-2-morpholin-4-ylcyclohex-2-en-1-one
PubChem CID57185523
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4,4-dimethyl-6-methylidene-2-morpholin-4-ylcyclohex-2-en-1-one
SMILESC=C1CC(C)(C)C=C(N2CCOCC2)C1=O
InChIInChI=1S/C13H19NO2/c1-10-8-13(2,3)9-11(12(10)15)14-4-6-16-7-5-14/h9H,1,4-8H2,2-3H3
InChIKeyKJHWISJQWHLIDN-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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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-methylidene-2-morpholin-4-ylcyclohex-2-en-1-one?
The IUPAC name of 4,4-dimethyl-6-methylidene-2-morpholin-4-ylcyclohex-2-en-1-one (CID 57185523) is 4,4-dimethyl-6-methylidene-2-morpholin-4-ylcyclohex-2-en-1-one.
What is the SMILES notation for 4,4-dimethyl-6-methylidene-2-morpholin-4-ylcyclohex-2-en-1-one?
The canonical SMILES for 4,4-dimethyl-6-methylidene-2-morpholin-4-ylcyclohex-2-en-1-one is C=C1CC(C)(C)C=C(N2CCOCC2)C1=O.
What is the InChIKey of 4,4-dimethyl-6-methylidene-2-morpholin-4-ylcyclohex-2-en-1-one?
The InChIKey is KJHWISJQWHLIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10-8-13(2,3)9-11(12(10)15)14-4-6-16-7-5-14/h9H,1,4-8H2,2-3H3.
What are the key properties of 4,4-dimethyl-6-methylidene-2-morpholin-4-ylcyclohex-2-en-1-one?
4,4-dimethyl-6-methylidene-2-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-2-morpholin-4-ylcyclohex-2-en-1-one is sourced from PubChem (CID 57185523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).