4,4-dimethyl-1-morpholin-4-ylpentane-1,3-dione

C11H19NO3 — CID 20671670

IUPAC4,4-dimethyl-1-morpholin-4-ylpentane-1,3-dione
SMILESCC(C)(C)C(=O)CC(=O)N1CCOCC1
InChIInChI=1S/C11H19NO3/c1-11(2,3)9(13)8-10(14)12-4-6-15-7-5-12/h4-8H2,1-3H3
InChIKeyZDQAIDPZNCKNCJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.85
Rot. Bonds2

About 4,4-dimethyl-1-morpholin-4-ylpentane-1,3-dione

4,4-dimethyl-1-morpholin-4-ylpentane-1,3-dione (PubChem CID 20671670) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4,4-dimethyl-1-morpholin-4-ylpentane-1,3-dione.

Molecular Properties

Compound Name4,4-dimethyl-1-morpholin-4-ylpentane-1,3-dione
PubChem CID20671670
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4,4-dimethyl-1-morpholin-4-ylpentane-1,3-dione
SMILESCC(C)(C)C(=O)CC(=O)N1CCOCC1
InChIInChI=1S/C11H19NO3/c1-11(2,3)9(13)8-10(14)12-4-6-15-7-5-12/h4-8H2,1-3H3
InChIKeyZDQAIDPZNCKNCJ-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-morpholin-4-ylpentane-1,3-dione?
The IUPAC name of 4,4-dimethyl-1-morpholin-4-ylpentane-1,3-dione (CID 20671670) is 4,4-dimethyl-1-morpholin-4-ylpentane-1,3-dione.
What is the SMILES notation for 4,4-dimethyl-1-morpholin-4-ylpentane-1,3-dione?
The canonical SMILES for 4,4-dimethyl-1-morpholin-4-ylpentane-1,3-dione is CC(C)(C)C(=O)CC(=O)N1CCOCC1.
What is the InChIKey of 4,4-dimethyl-1-morpholin-4-ylpentane-1,3-dione?
The InChIKey is ZDQAIDPZNCKNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2,3)9(13)8-10(14)12-4-6-15-7-5-12/h4-8H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-morpholin-4-ylpentane-1,3-dione?
4,4-dimethyl-1-morpholin-4-ylpentane-1,3-dione has a molecular weight of 213.28 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-morpholin-4-ylpentane-1,3-dione is sourced from PubChem (CID 20671670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).