4-[(4-methylcyclohexyl)methyl]morpholine-2,6-dione

C12H19NO3 — CID 63789772

IUPAC4-[(4-methylcyclohexyl)methyl]morpholine-2,6-dione
SMILESCC1CCC(CN2CC(=O)OC(=O)C2)CC1
InChIInChI=1S/C12H19NO3/c1-9-2-4-10(5-3-9)6-13-7-11(14)16-12(15)8-13/h9-10H,2-8H2,1H3
InChIKeyRGXSALOHTQWQRH-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.20
Rot. Bonds2

About 4-[(4-methylcyclohexyl)methyl]morpholine-2,6-dione

4-[(4-methylcyclohexyl)methyl]morpholine-2,6-dione (PubChem CID 63789772) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(4-methylcyclohexyl)methyl]morpholine-2,6-dione.

Molecular Properties

Compound Name4-[(4-methylcyclohexyl)methyl]morpholine-2,6-dione
PubChem CID63789772
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4-[(4-methylcyclohexyl)methyl]morpholine-2,6-dione
SMILESCC1CCC(CN2CC(=O)OC(=O)C2)CC1
InChIInChI=1S/C12H19NO3/c1-9-2-4-10(5-3-9)6-13-7-11(14)16-12(15)8-13/h9-10H,2-8H2,1H3
InChIKeyRGXSALOHTQWQRH-UHFFFAOYSA-N
XLogP1.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.20
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-methylcyclohexyl)methyl]morpholine-2,6-dione?
The IUPAC name of 4-[(4-methylcyclohexyl)methyl]morpholine-2,6-dione (CID 63789772) is 4-[(4-methylcyclohexyl)methyl]morpholine-2,6-dione.
What is the SMILES notation for 4-[(4-methylcyclohexyl)methyl]morpholine-2,6-dione?
The canonical SMILES for 4-[(4-methylcyclohexyl)methyl]morpholine-2,6-dione is CC1CCC(CN2CC(=O)OC(=O)C2)CC1.
What is the InChIKey of 4-[(4-methylcyclohexyl)methyl]morpholine-2,6-dione?
The InChIKey is RGXSALOHTQWQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9-2-4-10(5-3-9)6-13-7-11(14)16-12(15)8-13/h9-10H,2-8H2,1H3.
What are the key properties of 4-[(4-methylcyclohexyl)methyl]morpholine-2,6-dione?
4-[(4-methylcyclohexyl)methyl]morpholine-2,6-dione has a molecular weight of 225.29 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohexyl)methyl]morpholine-2,6-dione is sourced from PubChem (CID 63789772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).