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

C8H13NO3 — CID 63778862

IUPAC4-(2-methylpropyl)morpholine-2,6-dione
SMILESCC(C)CN1CC(=O)OC(=O)C1
InChIInChI=1S/C8H13NO3/c1-6(2)3-9-4-7(10)12-8(11)5-9/h6H,3-5H2,1-2H3
InChIKeyDJZLWAZNXMAELN-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.03
Rot. Bonds2

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

4-(2-methylpropyl)morpholine-2,6-dione (PubChem CID 63778862) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-(2-methylpropyl)morpholine-2,6-dione.

Molecular Properties

Compound Name4-(2-methylpropyl)morpholine-2,6-dione
PubChem CID63778862
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name4-(2-methylpropyl)morpholine-2,6-dione
SMILESCC(C)CN1CC(=O)OC(=O)C1
InChIInChI=1S/C8H13NO3/c1-6(2)3-9-4-7(10)12-8(11)5-9/h6H,3-5H2,1-2H3
InChIKeyDJZLWAZNXMAELN-UHFFFAOYSA-N
XLogP0.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2-methylpropyl)morpholine-2,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)morpholine-2,6-dione?
The IUPAC name of 4-(2-methylpropyl)morpholine-2,6-dione (CID 63778862) is 4-(2-methylpropyl)morpholine-2,6-dione.
What is the SMILES notation for 4-(2-methylpropyl)morpholine-2,6-dione?
The canonical SMILES for 4-(2-methylpropyl)morpholine-2,6-dione is CC(C)CN1CC(=O)OC(=O)C1.
What is the InChIKey of 4-(2-methylpropyl)morpholine-2,6-dione?
The InChIKey is DJZLWAZNXMAELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6(2)3-9-4-7(10)12-8(11)5-9/h6H,3-5H2,1-2H3.
What are the key properties of 4-(2-methylpropyl)morpholine-2,6-dione?
4-(2-methylpropyl)morpholine-2,6-dione has a molecular weight of 171.20 g/mol, XLogP of 0.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)morpholine-2,6-dione is sourced from PubChem (CID 63778862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).