2,6,6-trimethyl-5-morpholin-4-ylcyclohex-2-en-1-one

C13H21NO2 — CID 12840229

IUPAC2,6,6-trimethyl-5-morpholin-4-ylcyclohex-2-en-1-one
SMILESCC1=CCC(N2CCOCC2)C(C)(C)C1=O
InChIInChI=1S/C13H21NO2/c1-10-4-5-11(13(2,3)12(10)15)14-6-8-16-9-7-14/h4,11H,5-9H2,1-3H3
InChIKeyGMMDCGFSRAJKEV-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.63
Rot. Bonds1

About 2,6,6-trimethyl-5-morpholin-4-ylcyclohex-2-en-1-one

2,6,6-trimethyl-5-morpholin-4-ylcyclohex-2-en-1-one (PubChem CID 12840229) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2,6,6-trimethyl-5-morpholin-4-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2,6,6-trimethyl-5-morpholin-4-ylcyclohex-2-en-1-one
PubChem CID12840229
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2,6,6-trimethyl-5-morpholin-4-ylcyclohex-2-en-1-one
SMILESCC1=CCC(N2CCOCC2)C(C)(C)C1=O
InChIInChI=1S/C13H21NO2/c1-10-4-5-11(13(2,3)12(10)15)14-6-8-16-9-7-14/h4,11H,5-9H2,1-3H3
InChIKeyGMMDCGFSRAJKEV-UHFFFAOYSA-N
XLogP1.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-Dimethyl-3-morpholino-2-cyclohexen-1-one
CID 725658
(5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one;hydrochloride
CID 5467291
(2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride
CID 5467296
(2E)-2-(2-methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride
CID 54608095
2-Bromo-6,6-dimethyl-5-morpholin-4-ylcyclohex-2-en-1-one
CID 12840230
3,5,5-Trimethyl-2-(morpholin-4-yl)cyclohex-2-en-1-one
CID 12388961
4,4-Dimethyl-6-(morpholin-4-ylmethyl)cyclohex-2-en-1-one
CID 57208953
7,7-Bis(morpholin-4-ylmethyl)cyclohept-2-en-1-one
CID 101419253
2,6,6-Trimethyl-5-piperidin-1-ylcyclohex-2-en-1-one
CID 134919309
(5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one
CID 5467292
(2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one
CID 5467297
(2E)-2-(2-methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one
CID 6374737

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethyl-5-morpholin-4-ylcyclohex-2-en-1-one?
The IUPAC name of 2,6,6-trimethyl-5-morpholin-4-ylcyclohex-2-en-1-one (CID 12840229) is 2,6,6-trimethyl-5-morpholin-4-ylcyclohex-2-en-1-one.
What is the SMILES notation for 2,6,6-trimethyl-5-morpholin-4-ylcyclohex-2-en-1-one?
The canonical SMILES for 2,6,6-trimethyl-5-morpholin-4-ylcyclohex-2-en-1-one is CC1=CCC(N2CCOCC2)C(C)(C)C1=O.
What is the InChIKey of 2,6,6-trimethyl-5-morpholin-4-ylcyclohex-2-en-1-one?
The InChIKey is GMMDCGFSRAJKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10-4-5-11(13(2,3)12(10)15)14-6-8-16-9-7-14/h4,11H,5-9H2,1-3H3.
What are the key properties of 2,6,6-trimethyl-5-morpholin-4-ylcyclohex-2-en-1-one?
2,6,6-trimethyl-5-morpholin-4-ylcyclohex-2-en-1-one has a molecular weight of 223.32 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethyl-5-morpholin-4-ylcyclohex-2-en-1-one is sourced from PubChem (CID 12840229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).