3,5,5-trimethyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one

C15H25NO2 — CID 12543840

IUPAC3,5,5-trimethyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one
SMILESCC1=C(CCN2CCOCC2)C(=O)CC(C)(C)C1
InChIInChI=1S/C15H25NO2/c1-12-10-15(2,3)11-14(17)13(12)4-5-16-6-8-18-9-7-16/h4-11H2,1-3H3
InChIKeyNFSYDSOJWMBTRG-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.41
Rot. Bonds3

About 3,5,5-trimethyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one

3,5,5-trimethyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one (PubChem CID 12543840) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 3,5,5-trimethyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3,5,5-trimethyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one
PubChem CID12543840
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name3,5,5-trimethyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one
SMILESCC1=C(CCN2CCOCC2)C(=O)CC(C)(C)C1
InChIInChI=1S/C15H25NO2/c1-12-10-15(2,3)11-14(17)13(12)4-5-16-6-8-18-9-7-16/h4-11H2,1-3H3
InChIKeyNFSYDSOJWMBTRG-UHFFFAOYSA-N
XLogP2.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,5,5-trimethyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Indanone, 4,5,6,7-tetrahydro-2-(morpholinomethyl)-, hydrochloride
CID 3021244
1-Indanone, 4,5,6,7-tetrahydro-3-methyl-4-(morpholinomethyl)-, hydrochloride
CID 3021250
Cambridge id 5968528
CID 877653
3,5,5-Trimethyl-2-(morpholin-4-yl)cyclohex-2-en-1-one
CID 12388961
2,6,6-Trimethyl-5-morpholin-4-ylcyclohex-2-en-1-one
CID 12840229
2-Acetyl-2-(3-morpholin-4-ylprop-1-en-2-yl)cyclohexan-1-one
CID 134852786
1H-Inden-1-one, 2,3,4,5,6,7-hexahydro-2-(4-morpholinylmethyl)-
CID 3021245
3-Methyl-4-(morpholin-4-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one
CID 3021251
2-Acetyl-5,5-dimethyl-3-morpholin-4-ylcyclohex-2-en-1-one
CID 5345874
3-Methyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one
CID 5324060
3,5,5-Trimethyl-2-(1-morpholin-4-ylethyl)cyclohex-2-en-1-one
CID 21679952
4,4-Dimethyl-6-methylidene-5-(morpholin-4-ylmethyl)cyclohex-2-en-1-one
CID 57147361

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one?
The IUPAC name of 3,5,5-trimethyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one (CID 12543840) is 3,5,5-trimethyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3,5,5-trimethyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one?
The canonical SMILES for 3,5,5-trimethyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one is CC1=C(CCN2CCOCC2)C(=O)CC(C)(C)C1.
What is the InChIKey of 3,5,5-trimethyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one?
The InChIKey is NFSYDSOJWMBTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-12-10-15(2,3)11-14(17)13(12)4-5-16-6-8-18-9-7-16/h4-11H2,1-3H3.
What are the key properties of 3,5,5-trimethyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one?
3,5,5-trimethyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one has a molecular weight of 251.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 12543840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).