3,3-dimethyl-1-morpholin-4-ylbutan-1-one

C10H19NO2 — CID 4631078

IUPAC3,3-dimethyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCOCC1
InChIInChI=1S/C10H19NO2/c1-10(2,3)8-9(12)11-4-6-13-7-5-11/h4-8H2,1-3H3
InChIKeyJEADVZWQDUWSMW-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds1

About 3,3-dimethyl-1-morpholin-4-ylbutan-1-one

3,3-dimethyl-1-morpholin-4-ylbutan-1-one (PubChem CID 4631078) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3,3-dimethyl-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name3,3-dimethyl-1-morpholin-4-ylbutan-1-one
PubChem CID4631078
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3,3-dimethyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCOCC1
InChIInChI=1S/C10H19NO2/c1-10(2,3)8-9(12)11-4-6-13-7-5-11/h4-8H2,1-3H3
InChIKeyJEADVZWQDUWSMW-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 3,3-dimethyl-1-morpholin-4-ylbutan-1-one (CID 4631078) is 3,3-dimethyl-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 3,3-dimethyl-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 3,3-dimethyl-1-morpholin-4-ylbutan-1-one is CC(C)(C)CC(=O)N1CCOCC1.
What is the InChIKey of 3,3-dimethyl-1-morpholin-4-ylbutan-1-one?
The InChIKey is JEADVZWQDUWSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,3)8-9(12)11-4-6-13-7-5-11/h4-8H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-morpholin-4-ylbutan-1-one?
3,3-dimethyl-1-morpholin-4-ylbutan-1-one has a molecular weight of 185.27 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 4631078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).