6-tert-butyl-5,5-dimethylmorpholin-3-one

C10H19NO2 — CID 121207446

IUPAC6-tert-butyl-5,5-dimethylmorpholin-3-one
SMILESCC(C)(C)C1OCC(=O)NC1(C)C
InChIInChI=1S/C10H19NO2/c1-9(2,3)8-10(4,5)11-7(12)6-13-8/h8H,6H2,1-5H3,(H,11,12)
InChIKeyIHGZEAZOZADETG-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds

About 6-tert-butyl-5,5-dimethylmorpholin-3-one

6-tert-butyl-5,5-dimethylmorpholin-3-one (PubChem CID 121207446) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 6-tert-butyl-5,5-dimethylmorpholin-3-one.

Molecular Properties

Compound Name6-tert-butyl-5,5-dimethylmorpholin-3-one
PubChem CID121207446
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name6-tert-butyl-5,5-dimethylmorpholin-3-one
SMILESCC(C)(C)C1OCC(=O)NC1(C)C
InChIInChI=1S/C10H19NO2/c1-9(2,3)8-10(4,5)11-7(12)6-13-8/h8H,6H2,1-5H3,(H,11,12)
InChIKeyIHGZEAZOZADETG-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 134163295
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4-(aminomethyl)-5,5-dimethylpyrrolidin-2-one
CID 138039752
(3S)-2,2-dimethyl-5-oxopyrrolidine-3-carboxylic acid
CID 96735625
7-tert-butyl-1-azaspiro[3.5]nonan-2-one
CID 64663866
1,1,6-trimethyl-7-oxa-2-azaspiro[4.4]nonan-3-one
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5-methyl-5-(oxolan-2-yl)pyrrolidine-2,4-dione
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(3S)-3-tert-butyl-2,2-dimethylcyclopentan-1-one
CID 70539958

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-5,5-dimethylmorpholin-3-one?
The IUPAC name of 6-tert-butyl-5,5-dimethylmorpholin-3-one (CID 121207446) is 6-tert-butyl-5,5-dimethylmorpholin-3-one.
What is the SMILES notation for 6-tert-butyl-5,5-dimethylmorpholin-3-one?
The canonical SMILES for 6-tert-butyl-5,5-dimethylmorpholin-3-one is CC(C)(C)C1OCC(=O)NC1(C)C.
What is the InChIKey of 6-tert-butyl-5,5-dimethylmorpholin-3-one?
The InChIKey is IHGZEAZOZADETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2,3)8-10(4,5)11-7(12)6-13-8/h8H,6H2,1-5H3,(H,11,12).
What are the key properties of 6-tert-butyl-5,5-dimethylmorpholin-3-one?
6-tert-butyl-5,5-dimethylmorpholin-3-one has a molecular weight of 185.27 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-5,5-dimethylmorpholin-3-one is sourced from PubChem (CID 121207446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).