4-methyl-3-(2-methylpropyl)-6-propan-2-ylmorpholine-2,5-dione

C12H21NO3 — CID 535926

IUPAC4-methyl-3-(2-methylpropyl)-6-propan-2-ylmorpholine-2,5-dione
SMILESCC(C)CC1C(=O)OC(C(C)C)C(=O)N1C
InChIInChI=1S/C12H21NO3/c1-7(2)6-9-12(15)16-10(8(3)4)11(14)13(9)5/h7-10H,6H2,1-5H3
InChIKeyPWXYKMAQRRVSJY-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.44
Rot. Bonds3

About 4-methyl-3-(2-methylpropyl)-6-propan-2-ylmorpholine-2,5-dione

4-methyl-3-(2-methylpropyl)-6-propan-2-ylmorpholine-2,5-dione (PubChem CID 535926) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-methyl-3-(2-methylpropyl)-6-propan-2-ylmorpholine-2,5-dione.

Molecular Properties

Compound Name4-methyl-3-(2-methylpropyl)-6-propan-2-ylmorpholine-2,5-dione
PubChem CID535926
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-methyl-3-(2-methylpropyl)-6-propan-2-ylmorpholine-2,5-dione
SMILESCC(C)CC1C(=O)OC(C(C)C)C(=O)N1C
InChIInChI=1S/C12H21NO3/c1-7(2)6-9-12(15)16-10(8(3)4)11(14)13(9)5/h7-10H,6H2,1-5H3
InChIKeyPWXYKMAQRRVSJY-UHFFFAOYSA-N
XLogP1.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylpropyl)-6-propan-2-ylmorpholine-2,5-dione?
The IUPAC name of 4-methyl-3-(2-methylpropyl)-6-propan-2-ylmorpholine-2,5-dione (CID 535926) is 4-methyl-3-(2-methylpropyl)-6-propan-2-ylmorpholine-2,5-dione.
What is the SMILES notation for 4-methyl-3-(2-methylpropyl)-6-propan-2-ylmorpholine-2,5-dione?
The canonical SMILES for 4-methyl-3-(2-methylpropyl)-6-propan-2-ylmorpholine-2,5-dione is CC(C)CC1C(=O)OC(C(C)C)C(=O)N1C.
What is the InChIKey of 4-methyl-3-(2-methylpropyl)-6-propan-2-ylmorpholine-2,5-dione?
The InChIKey is PWXYKMAQRRVSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-7(2)6-9-12(15)16-10(8(3)4)11(14)13(9)5/h7-10H,6H2,1-5H3.
What are the key properties of 4-methyl-3-(2-methylpropyl)-6-propan-2-ylmorpholine-2,5-dione?
4-methyl-3-(2-methylpropyl)-6-propan-2-ylmorpholine-2,5-dione has a molecular weight of 227.30 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylpropyl)-6-propan-2-ylmorpholine-2,5-dione is sourced from PubChem (CID 535926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).