4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione

C11H19NO3 — CID 557777

IUPAC4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione
SMILESCC(C)C1OC(=O)C(C(C)C)N(C)C1=O
InChIInChI=1S/C11H19NO3/c1-6(2)8-11(14)15-9(7(3)4)10(13)12(8)5/h6-9H,1-5H3
InChIKeyZVVKRSSQGWOPIS-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.05
Rot. Bonds2

About 4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione

4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione (PubChem CID 557777) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione.

Molecular Properties

Compound Name4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione
PubChem CID557777
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione
SMILESCC(C)C1OC(=O)C(C(C)C)N(C)C1=O
InChIInChI=1S/C11H19NO3/c1-6(2)8-11(14)15-9(7(3)4)10(13)12(8)5/h6-9H,1-5H3
InChIKeyZVVKRSSQGWOPIS-UHFFFAOYSA-N
XLogP1.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-methyl-3,6-di(propan-2-yl)morpholine-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

Related Compounds

Enniatin B
CID 164754
Fusafungine
CID 3084092
Enniatin J1
CID 11814110
Enniatin K1
CID 11006677
cyclo[DL-OVal-DL-N(Me)Val-DL-OVal-DL-N(Me)Val-DL-OVal-DL-N(Me)Val]
CID 3227
cyclo[D-OVal-D-N(Me)Val-D-OVal-N(Me)Val-D-OVal-N(Me)Val]
CID 163191130
6-(Propan-2-yl)-3-methyl-morpholine-2,5-dione
CID 86169632
(3s,6r)-3,6-Di(propan-2-yl)-4-methyl-morpholine-2,5-dione
CID 45097321
4-Methyl-3-(2-methylpropyl)-6-isopropyl-2,5-dioxomorpholine
CID 535926
4-Methyl-6-(1-methylethyl)-3-(1-methylpropyl)-2,5-morpholinedione
CID 558283
Ethyl 2-[acetyl(methyl)amino]-3-methylbutanoate
CID 15446107
4-Methyl-6-(1-methylethyl)-2,5-morpholinedione
CID 20083927

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione?
The IUPAC name of 4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione (CID 557777) is 4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione.
What is the SMILES notation for 4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione?
The canonical SMILES for 4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione is CC(C)C1OC(=O)C(C(C)C)N(C)C1=O.
What is the InChIKey of 4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione?
The InChIKey is ZVVKRSSQGWOPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-6(2)8-11(14)15-9(7(3)4)10(13)12(8)5/h6-9H,1-5H3.
What are the key properties of 4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione?
4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione has a molecular weight of 213.28 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,6-di(propan-2-yl)morpholine-2,5-dione is sourced from PubChem (CID 557777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).