4-(4-propylcyclohexyl)morpholine-2,6-dione

C13H21NO3 — CID 63789954

IUPAC4-(4-propylcyclohexyl)morpholine-2,6-dione
SMILESCCCC1CCC(N2CC(=O)OC(=O)C2)CC1
InChIInChI=1S/C13H21NO3/c1-2-3-10-4-6-11(7-5-10)14-8-12(15)17-13(16)9-14/h10-11H,2-9H2,1H3
InChIKeyJSERWLASZWWSAZ-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.73
Rot. Bonds3

About 4-(4-propylcyclohexyl)morpholine-2,6-dione

4-(4-propylcyclohexyl)morpholine-2,6-dione (PubChem CID 63789954) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-(4-propylcyclohexyl)morpholine-2,6-dione.

Molecular Properties

Compound Name4-(4-propylcyclohexyl)morpholine-2,6-dione
PubChem CID63789954
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-(4-propylcyclohexyl)morpholine-2,6-dione
SMILESCCCC1CCC(N2CC(=O)OC(=O)C2)CC1
InChIInChI=1S/C13H21NO3/c1-2-3-10-4-6-11(7-5-10)14-8-12(15)17-13(16)9-14/h10-11H,2-9H2,1H3
InChIKeyJSERWLASZWWSAZ-UHFFFAOYSA-N
XLogP1.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propylcyclohexyl)morpholine-2,6-dione?
The IUPAC name of 4-(4-propylcyclohexyl)morpholine-2,6-dione (CID 63789954) is 4-(4-propylcyclohexyl)morpholine-2,6-dione.
What is the SMILES notation for 4-(4-propylcyclohexyl)morpholine-2,6-dione?
The canonical SMILES for 4-(4-propylcyclohexyl)morpholine-2,6-dione is CCCC1CCC(N2CC(=O)OC(=O)C2)CC1.
What is the InChIKey of 4-(4-propylcyclohexyl)morpholine-2,6-dione?
The InChIKey is JSERWLASZWWSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-2-3-10-4-6-11(7-5-10)14-8-12(15)17-13(16)9-14/h10-11H,2-9H2,1H3.
What are the key properties of 4-(4-propylcyclohexyl)morpholine-2,6-dione?
4-(4-propylcyclohexyl)morpholine-2,6-dione has a molecular weight of 239.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylcyclohexyl)morpholine-2,6-dione is sourced from PubChem (CID 63789954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).