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

C8H13NO3 — CID 86169632

IUPAC3-methyl-6-propan-2-ylmorpholine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)OC1=O
InChIInChI=1S/C8H13NO3/c1-4(2)6-7(10)9-5(3)8(11)12-6/h4-6H,1-3H3,(H,9,10)
InChIKeyOPGDNCQZCHNOJV-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.07
Rot. Bonds1

About 3-methyl-6-propan-2-ylmorpholine-2,5-dione

3-methyl-6-propan-2-ylmorpholine-2,5-dione (PubChem CID 86169632) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-methyl-6-propan-2-ylmorpholine-2,5-dione.

Molecular Properties

Compound Name3-methyl-6-propan-2-ylmorpholine-2,5-dione
PubChem CID86169632
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name3-methyl-6-propan-2-ylmorpholine-2,5-dione
SMILESCC1NC(=O)C(C(C)C)OC1=O
InChIInChI=1S/C8H13NO3/c1-4(2)6-7(10)9-5(3)8(11)12-6/h4-6H,1-3H3,(H,9,10)
InChIKeyOPGDNCQZCHNOJV-UHFFFAOYSA-N
XLogP0.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propan-2-ylmorpholine-2,5-dione?
The IUPAC name of 3-methyl-6-propan-2-ylmorpholine-2,5-dione (CID 86169632) is 3-methyl-6-propan-2-ylmorpholine-2,5-dione.
What is the SMILES notation for 3-methyl-6-propan-2-ylmorpholine-2,5-dione?
The canonical SMILES for 3-methyl-6-propan-2-ylmorpholine-2,5-dione is CC1NC(=O)C(C(C)C)OC1=O.
What is the InChIKey of 3-methyl-6-propan-2-ylmorpholine-2,5-dione?
The InChIKey is OPGDNCQZCHNOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-4(2)6-7(10)9-5(3)8(11)12-6/h4-6H,1-3H3,(H,9,10).
What are the key properties of 3-methyl-6-propan-2-ylmorpholine-2,5-dione?
3-methyl-6-propan-2-ylmorpholine-2,5-dione has a molecular weight of 171.20 g/mol, XLogP of 0.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-ylmorpholine-2,5-dione is sourced from PubChem (CID 86169632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).