4-butan-2-ylmorpholine-2,5-dione

C8H13NO3 — CID 68619304

IUPAC4-butan-2-ylmorpholine-2,5-dione
SMILESCCC(C)N1CC(=O)OCC1=O
InChIInChI=1S/C8H13NO3/c1-3-6(2)9-4-8(11)12-5-7(9)10/h6H,3-5H2,1-2H3
InChIKeyMWAAMANOMRTBSP-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.17
Rot. Bonds2

About 4-butan-2-ylmorpholine-2,5-dione

4-butan-2-ylmorpholine-2,5-dione (PubChem CID 68619304) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-butan-2-ylmorpholine-2,5-dione.

Molecular Properties

Compound Name4-butan-2-ylmorpholine-2,5-dione
PubChem CID68619304
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name4-butan-2-ylmorpholine-2,5-dione
SMILESCCC(C)N1CC(=O)OCC1=O
InChIInChI=1S/C8H13NO3/c1-3-6(2)9-4-8(11)12-5-7(9)10/h6H,3-5H2,1-2H3
InChIKeyMWAAMANOMRTBSP-UHFFFAOYSA-N
XLogP0.17
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylmorpholine-2,5-dione?
The IUPAC name of 4-butan-2-ylmorpholine-2,5-dione (CID 68619304) is 4-butan-2-ylmorpholine-2,5-dione.
What is the SMILES notation for 4-butan-2-ylmorpholine-2,5-dione?
The canonical SMILES for 4-butan-2-ylmorpholine-2,5-dione is CCC(C)N1CC(=O)OCC1=O.
What is the InChIKey of 4-butan-2-ylmorpholine-2,5-dione?
The InChIKey is MWAAMANOMRTBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-6(2)9-4-8(11)12-5-7(9)10/h6H,3-5H2,1-2H3.
What are the key properties of 4-butan-2-ylmorpholine-2,5-dione?
4-butan-2-ylmorpholine-2,5-dione has a molecular weight of 171.20 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylmorpholine-2,5-dione is sourced from PubChem (CID 68619304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).