1-(2,2-dimethylazetidin-1-yl)-3,3-dimethylbutan-1-one

C11H21NO — CID 130734788

IUPAC1-(2,2-dimethylazetidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC1(C)C
InChIInChI=1S/C11H21NO/c1-10(2,3)8-9(13)12-7-6-11(12,4)5/h6-8H2,1-5H3
InChIKeyCPEFFVDNHWHBNR-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.43
Rot. Bonds1

About 1-(2,2-dimethylazetidin-1-yl)-3,3-dimethylbutan-1-one

1-(2,2-dimethylazetidin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 130734788) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(2,2-dimethylazetidin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethylazetidin-1-yl)-3,3-dimethylbutan-1-one
PubChem CID130734788
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(2,2-dimethylazetidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC1(C)C
InChIInChI=1S/C11H21NO/c1-10(2,3)8-9(13)12-7-6-11(12,4)5/h6-8H2,1-5H3
InChIKeyCPEFFVDNHWHBNR-UHFFFAOYSA-N
XLogP2.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylazetidin-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(2,2-dimethylazetidin-1-yl)-3,3-dimethylbutan-1-one (CID 130734788) is 1-(2,2-dimethylazetidin-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(2,2-dimethylazetidin-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(2,2-dimethylazetidin-1-yl)-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylazetidin-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is CPEFFVDNHWHBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-10(2,3)8-9(13)12-7-6-11(12,4)5/h6-8H2,1-5H3.
What are the key properties of 1-(2,2-dimethylazetidin-1-yl)-3,3-dimethylbutan-1-one?
1-(2,2-dimethylazetidin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 183.29 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylazetidin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 130734788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).