3,3-dimethyl-4-morpholin-4-ylbutan-2-one

C10H19NO2 — CID 59854550

IUPAC3,3-dimethyl-4-morpholin-4-ylbutan-2-one
SMILESCC(=O)C(C)(C)CN1CCOCC1
InChIInChI=1S/C10H19NO2/c1-9(12)10(2,3)8-11-4-6-13-7-5-11/h4-8H2,1-3H3
InChIKeyYFIYBCHAXQNHET-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.93
Rot. Bonds3

About 3,3-dimethyl-4-morpholin-4-ylbutan-2-one

3,3-dimethyl-4-morpholin-4-ylbutan-2-one (PubChem CID 59854550) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3,3-dimethyl-4-morpholin-4-ylbutan-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-morpholin-4-ylbutan-2-one
PubChem CID59854550
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3,3-dimethyl-4-morpholin-4-ylbutan-2-one
SMILESCC(=O)C(C)(C)CN1CCOCC1
InChIInChI=1S/C10H19NO2/c1-9(12)10(2,3)8-11-4-6-13-7-5-11/h4-8H2,1-3H3
InChIKeyYFIYBCHAXQNHET-UHFFFAOYSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-morpholin-4-ylbutan-2-one?
The IUPAC name of 3,3-dimethyl-4-morpholin-4-ylbutan-2-one (CID 59854550) is 3,3-dimethyl-4-morpholin-4-ylbutan-2-one.
What is the SMILES notation for 3,3-dimethyl-4-morpholin-4-ylbutan-2-one?
The canonical SMILES for 3,3-dimethyl-4-morpholin-4-ylbutan-2-one is CC(=O)C(C)(C)CN1CCOCC1.
What is the InChIKey of 3,3-dimethyl-4-morpholin-4-ylbutan-2-one?
The InChIKey is YFIYBCHAXQNHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(12)10(2,3)8-11-4-6-13-7-5-11/h4-8H2,1-3H3.
What are the key properties of 3,3-dimethyl-4-morpholin-4-ylbutan-2-one?
3,3-dimethyl-4-morpholin-4-ylbutan-2-one has a molecular weight of 185.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-morpholin-4-ylbutan-2-one is sourced from PubChem (CID 59854550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).