6-propan-2-ylmorpholine-2,5-dione

C7H11NO3 — CID 23222487

IUPAC6-propan-2-ylmorpholine-2,5-dione
SMILESCC(C)C1OC(=O)CNC1=O
InChIInChI=1S/C7H11NO3/c1-4(2)6-7(10)8-3-5(9)11-6/h4,6H,3H2,1-2H3,(H,8,10)
InChIKeyMLYLBZZMNCRBOA-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.32
Rot. Bonds1

About 6-propan-2-ylmorpholine-2,5-dione

6-propan-2-ylmorpholine-2,5-dione (PubChem CID 23222487) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 6-propan-2-ylmorpholine-2,5-dione.

Molecular Properties

Compound Name6-propan-2-ylmorpholine-2,5-dione
PubChem CID23222487
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name6-propan-2-ylmorpholine-2,5-dione
SMILESCC(C)C1OC(=O)CNC1=O
InChIInChI=1S/C7H11NO3/c1-4(2)6-7(10)8-3-5(9)11-6/h4,6H,3H2,1-2H3,(H,8,10)
InChIKeyMLYLBZZMNCRBOA-UHFFFAOYSA-N
XLogP-0.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-propan-2-ylmorpholine-2,5-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 6-propan-2-ylmorpholine-2,5-dione?
The IUPAC name of 6-propan-2-ylmorpholine-2,5-dione (CID 23222487) is 6-propan-2-ylmorpholine-2,5-dione.
What is the SMILES notation for 6-propan-2-ylmorpholine-2,5-dione?
The canonical SMILES for 6-propan-2-ylmorpholine-2,5-dione is CC(C)C1OC(=O)CNC1=O.
What is the InChIKey of 6-propan-2-ylmorpholine-2,5-dione?
The InChIKey is MLYLBZZMNCRBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4(2)6-7(10)8-3-5(9)11-6/h4,6H,3H2,1-2H3,(H,8,10).
What are the key properties of 6-propan-2-ylmorpholine-2,5-dione?
6-propan-2-ylmorpholine-2,5-dione has a molecular weight of 157.17 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-ylmorpholine-2,5-dione is sourced from PubChem (CID 23222487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).