3-methyl-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one

C11H21NO2 — CID 170681418

IUPAC3-methyl-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one
SMILESCC(C)CC(=O)N1CC(OC(C)C)C1
InChIInChI=1S/C11H21NO2/c1-8(2)5-11(13)12-6-10(7-12)14-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyOASZXSSUBAUKLM-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds4

About 3-methyl-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one

3-methyl-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one (PubChem CID 170681418) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-methyl-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one.

Molecular Properties

Compound Name3-methyl-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one
PubChem CID170681418
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-methyl-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one
SMILESCC(C)CC(=O)N1CC(OC(C)C)C1
InChIInChI=1S/C11H21NO2/c1-8(2)5-11(13)12-6-10(7-12)14-9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyOASZXSSUBAUKLM-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one?
The IUPAC name of 3-methyl-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one (CID 170681418) is 3-methyl-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one.
What is the SMILES notation for 3-methyl-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one?
The canonical SMILES for 3-methyl-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one is CC(C)CC(=O)N1CC(OC(C)C)C1.
What is the InChIKey of 3-methyl-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one?
The InChIKey is OASZXSSUBAUKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)5-11(13)12-6-10(7-12)14-9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 3-methyl-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one?
3-methyl-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one has a molecular weight of 199.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-propan-2-yloxyazetidin-1-yl)butan-1-one is sourced from PubChem (CID 170681418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).