3-propan-2-ylmorpholine-2,5-dione

C7H11NO3 — CID 45096033

IUPAC3-propan-2-ylmorpholine-2,5-dione
SMILESCC(C)C1NC(=O)COC1=O
InChIInChI=1S/C7H11NO3/c1-4(2)6-7(10)11-3-5(9)8-6/h4,6H,3H2,1-2H3,(H,8,9)
InChIKeyUDAGOJYEKSFEOQ-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.32
Rot. Bonds1

About 3-propan-2-ylmorpholine-2,5-dione

3-propan-2-ylmorpholine-2,5-dione (PubChem CID 45096033) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-propan-2-ylmorpholine-2,5-dione.

Molecular Properties

Compound Name3-propan-2-ylmorpholine-2,5-dione
PubChem CID45096033
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-propan-2-ylmorpholine-2,5-dione
SMILESCC(C)C1NC(=O)COC1=O
InChIInChI=1S/C7H11NO3/c1-4(2)6-7(10)11-3-5(9)8-6/h4,6H,3H2,1-2H3,(H,8,9)
InChIKeyUDAGOJYEKSFEOQ-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

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylmorpholine-2,5-dione?
The IUPAC name of 3-propan-2-ylmorpholine-2,5-dione (CID 45096033) is 3-propan-2-ylmorpholine-2,5-dione.
What is the SMILES notation for 3-propan-2-ylmorpholine-2,5-dione?
The canonical SMILES for 3-propan-2-ylmorpholine-2,5-dione is CC(C)C1NC(=O)COC1=O.
What is the InChIKey of 3-propan-2-ylmorpholine-2,5-dione?
The InChIKey is UDAGOJYEKSFEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-4(2)6-7(10)11-3-5(9)8-6/h4,6H,3H2,1-2H3,(H,8,9).
What are the key properties of 3-propan-2-ylmorpholine-2,5-dione?
3-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 3-propan-2-ylmorpholine-2,5-dione is sourced from PubChem (CID 45096033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).