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

C16H25NO4 — CID 102743089

IUPAC6-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESCC1(C)CN(C(=O)C2CC=CCC2C(=O)O)CC(C)(C)O1
InChIInChI=1S/C16H25NO4/c1-15(2)9-17(10-16(3,4)21-15)13(18)11-7-5-6-8-12(11)14(19)20/h5-6,11-12H,7-10H2,1-4H3,(H,19,20)
InChIKeyRTCIUEXXMFTKLA-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.07
Rot. Bonds2

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

6-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 102743089) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is 6-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
PubChem CID102743089
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Name6-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESCC1(C)CN(C(=O)C2CC=CCC2C(=O)O)CC(C)(C)O1
InChIInChI=1S/C16H25NO4/c1-15(2)9-17(10-16(3,4)21-15)13(18)11-7-5-6-8-12(11)14(19)20/h5-6,11-12H,7-10H2,1-4H3,(H,19,20)
InChIKeyRTCIUEXXMFTKLA-UHFFFAOYSA-N
XLogP2.07
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid (CID 102743089) is 6-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid is CC1(C)CN(C(=O)C2CC=CCC2C(=O)O)CC(C)(C)O1.
What is the InChIKey of 6-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is RTCIUEXXMFTKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-15(2)9-17(10-16(3,4)21-15)13(18)11-7-5-6-8-12(11)14(19)20/h5-6,11-12H,7-10H2,1-4H3,(H,19,20).
What are the key properties of 6-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid?
6-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 295.38 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,6,6-tetramethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 102743089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).