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

C14H21NO4 — CID 43592570

IUPAC6-(2,2-dimethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESCC1(C)CN(C(=O)C2CC=CCC2C(=O)O)CCO1
InChIInChI=1S/C14H21NO4/c1-14(2)9-15(7-8-19-14)12(16)10-5-3-4-6-11(10)13(17)18/h3-4,10-11H,5-9H2,1-2H3,(H,17,18)
InChIKeyLAFIYNIWYLXKTN-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.29
Rot. Bonds2

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

6-(2,2-dimethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 43592570) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 6-(2,2-dimethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-(2,2-dimethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
PubChem CID43592570
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name6-(2,2-dimethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESCC1(C)CN(C(=O)C2CC=CCC2C(=O)O)CCO1
InChIInChI=1S/C14H21NO4/c1-14(2)9-15(7-8-19-14)12(16)10-5-3-4-6-11(10)13(17)18/h3-4,10-11H,5-9H2,1-2H3,(H,17,18)
InChIKeyLAFIYNIWYLXKTN-UHFFFAOYSA-N
XLogP1.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-(2,2-dimethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid (CID 43592570) is 6-(2,2-dimethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-(2,2-dimethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-(2,2-dimethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid is CC1(C)CN(C(=O)C2CC=CCC2C(=O)O)CCO1.
What is the InChIKey of 6-(2,2-dimethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is LAFIYNIWYLXKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-14(2)9-15(7-8-19-14)12(16)10-5-3-4-6-11(10)13(17)18/h3-4,10-11H,5-9H2,1-2H3,(H,17,18).
What are the key properties of 6-(2,2-dimethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid?
6-(2,2-dimethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 267.32 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylmorpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 43592570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).