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

C12H19NO2 — CID 57159889

IUPAC4,4-dimethyl-6-morpholin-4-ylcyclohex-2-en-1-one
SMILESCC1(C)C=CC(=O)C(N2CCOCC2)C1
InChIInChI=1S/C12H19NO2/c1-12(2)4-3-11(14)10(9-12)13-5-7-15-8-6-13/h3-4,10H,5-9H2,1-2H3
InChIKeyXCYULSMRPIWFGE-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.24
Rot. Bonds1

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

4,4-dimethyl-6-morpholin-4-ylcyclohex-2-en-1-one (PubChem CID 57159889) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4,4-dimethyl-6-morpholin-4-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4,4-dimethyl-6-morpholin-4-ylcyclohex-2-en-1-one
PubChem CID57159889
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4,4-dimethyl-6-morpholin-4-ylcyclohex-2-en-1-one
SMILESCC1(C)C=CC(=O)C(N2CCOCC2)C1
InChIInChI=1S/C12H19NO2/c1-12(2)4-3-11(14)10(9-12)13-5-7-15-8-6-13/h3-4,10H,5-9H2,1-2H3
InChIKeyXCYULSMRPIWFGE-UHFFFAOYSA-N
XLogP1.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-morpholin-4-ylcyclohex-2-en-1-one?
The IUPAC name of 4,4-dimethyl-6-morpholin-4-ylcyclohex-2-en-1-one (CID 57159889) is 4,4-dimethyl-6-morpholin-4-ylcyclohex-2-en-1-one.
What is the SMILES notation for 4,4-dimethyl-6-morpholin-4-ylcyclohex-2-en-1-one?
The canonical SMILES for 4,4-dimethyl-6-morpholin-4-ylcyclohex-2-en-1-one is CC1(C)C=CC(=O)C(N2CCOCC2)C1.
What is the InChIKey of 4,4-dimethyl-6-morpholin-4-ylcyclohex-2-en-1-one?
The InChIKey is XCYULSMRPIWFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2)4-3-11(14)10(9-12)13-5-7-15-8-6-13/h3-4,10H,5-9H2,1-2H3.
What are the key properties of 4,4-dimethyl-6-morpholin-4-ylcyclohex-2-en-1-one?
4,4-dimethyl-6-morpholin-4-ylcyclohex-2-en-1-one has a molecular weight of 209.29 g/mol, XLogP of 1.24, 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-morpholin-4-ylcyclohex-2-en-1-one is sourced from PubChem (CID 57159889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).