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

C12H17NO4 — CID 3773355

IUPAC6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=CCC1C(=O)N1CCOCC1
InChIInChI=1S/C12H17NO4/c14-11(13-5-7-17-8-6-13)9-3-1-2-4-10(9)12(15)16/h1-2,9-10H,3-8H2,(H,15,16)
InChIKeyTXXXCIFWMSXJDK-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.51
Rot. Bonds2

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

6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 3773355) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
PubChem CID3773355
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid
SMILESO=C(O)C1CC=CCC1C(=O)N1CCOCC1
InChIInChI=1S/C12H17NO4/c14-11(13-5-7-17-8-6-13)9-3-1-2-4-10(9)12(15)16/h1-2,9-10H,3-8H2,(H,15,16)
InChIKeyTXXXCIFWMSXJDK-UHFFFAOYSA-N
XLogP0.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.51
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-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid (CID 3773355) is 6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid is O=C(O)C1CC=CCC1C(=O)N1CCOCC1.
What is the InChIKey of 6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is TXXXCIFWMSXJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c14-11(13-5-7-17-8-6-13)9-3-1-2-4-10(9)12(15)16/h1-2,9-10H,3-8H2,(H,15,16).
What are the key properties of 6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid?
6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 239.27 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(morpholine-4-carbonyl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 3773355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).