6-(2-ethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid

C14H21NO4 — CID 43562560

IUPAC6-(2-ethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESCCC1CN(C(=O)C2CC=CCC2C(=O)O)CCO1
InChIInChI=1S/C14H21NO4/c1-2-10-9-15(7-8-19-10)13(16)11-5-3-4-6-12(11)14(17)18/h3-4,10-12H,2,5-9H2,1H3,(H,17,18)
InChIKeyMUTKZRBEEOCESH-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.29
Rot. Bonds3

About 6-(2-ethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid

6-(2-ethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 43562560) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 6-(2-ethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-(2-ethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
PubChem CID43562560
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name6-(2-ethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESCCC1CN(C(=O)C2CC=CCC2C(=O)O)CCO1
InChIInChI=1S/C14H21NO4/c1-2-10-9-15(7-8-19-10)13(16)11-5-3-4-6-12(11)14(17)18/h3-4,10-12H,2,5-9H2,1H3,(H,17,18)
InChIKeyMUTKZRBEEOCESH-UHFFFAOYSA-N
XLogP1.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.29
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

2-(2-ethylmorpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 43562559
2-ethylmorpholine-4-carboxylic acid
CID 121455686
3-(2-ethylmorpholine-4-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 43562554
(3-amino-2-methylcyclohexyl)-(2-ethylmorpholin-4-yl)methanone
CID 62781194
6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 102932297
(1R,6R)-6-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 124721960
[2-(hydroxymethyl)morpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 81208013
cyclopent-3-en-1-yl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208885
2-[2-(methoxymethyl)morpholine-4-carbonyl]cyclobutane-1-carboxylic acid
CID 120976260
[4-(ethylamino)oxolan-3-yl]-(2-ethylmorpholin-4-yl)methanone
CID 66260205
(Z)-1-[(2R)-2-ethylmorpholin-4-yl]-2-methylpent-2-en-1-one
CID 95154056
(1S,6R)-6-(2,2-dimethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
CID 93204603

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-(2-ethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid (CID 43562560) is 6-(2-ethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-(2-ethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-(2-ethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid is CCC1CN(C(=O)C2CC=CCC2C(=O)O)CCO1.
What is the InChIKey of 6-(2-ethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is MUTKZRBEEOCESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-2-10-9-15(7-8-19-10)13(16)11-5-3-4-6-12(11)14(17)18/h3-4,10-12H,2,5-9H2,1H3,(H,17,18).
What are the key properties of 6-(2-ethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid?
6-(2-ethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 267.32 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 43562560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).