6-(5-ethyl-2-methylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid

C15H23NO4 — CID 43578297

IUPAC6-(5-ethyl-2-methylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESCCC1COC(C)CN1C(=O)C1CC=CCC1C(=O)O
InChIInChI=1S/C15H23NO4/c1-3-11-9-20-10(2)8-16(11)14(17)12-6-4-5-7-13(12)15(18)19/h4-5,10-13H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyITKIBFZNVJIKEY-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.68
Rot. Bonds3

About 6-(5-ethyl-2-methylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid

6-(5-ethyl-2-methylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 43578297) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 6-(5-ethyl-2-methylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-(5-ethyl-2-methylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
PubChem CID43578297
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name6-(5-ethyl-2-methylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESCCC1COC(C)CN1C(=O)C1CC=CCC1C(=O)O
InChIInChI=1S/C15H23NO4/c1-3-11-9-20-10(2)8-16(11)14(17)12-6-4-5-7-13(12)15(18)19/h4-5,10-13H,3,6-9H2,1-2H3,(H,18,19)
InChIKeyITKIBFZNVJIKEY-UHFFFAOYSA-N
XLogP1.68
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclopropyl-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 60645279
[(2R,5S)-5-ethyl-2-methylmorpholin-4-yl]-phenylmethanone
CID 95358527
(5-ethyl-2-methylmorpholin-4-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 63714753
3-(5-ethyl-2-methylmorpholine-4-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 43578295
1-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79382717
(5-ethyl-2-methylmorpholin-4-yl)-(4-phenoxyphenyl)methanone
CID 42904647
3-(5-ethyl-2-methylmorpholin-4-yl)-2,2-dimethyl-3-oxopropanoic acid
CID 82821469
(3,5-diaminophenyl)-(5-ethyl-2-methylmorpholin-4-yl)methanone
CID 61093877
3-(5-ethyl-2-methylmorpholine-4-carbonyl)benzoic acid
CID 61424863
5-(5-ethyl-2-methylmorpholin-4-yl)-5-oxopentanoic acid
CID 43578300
3-(5-ethyl-2-methylmorpholine-4-carbonyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63779868
2-(5-ethyl-2-methylmorpholin-4-yl)cyclobutane-1-carboxylic acid
CID 80997359

Frequently Asked Questions

What is the IUPAC name of 6-(5-ethyl-2-methylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-(5-ethyl-2-methylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid (CID 43578297) is 6-(5-ethyl-2-methylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-(5-ethyl-2-methylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-(5-ethyl-2-methylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid is CCC1COC(C)CN1C(=O)C1CC=CCC1C(=O)O.
What is the InChIKey of 6-(5-ethyl-2-methylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is ITKIBFZNVJIKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-3-11-9-20-10(2)8-16(11)14(17)12-6-4-5-7-13(12)15(18)19/h4-5,10-13H,3,6-9H2,1-2H3,(H,18,19).
What are the key properties of 6-(5-ethyl-2-methylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid?
6-(5-ethyl-2-methylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 281.35 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethyl-2-methylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 43578297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).