1-(azetidin-1-yl)-3,3-dimethylbutan-1-one

C9H17NO — CID 58756723

IUPAC1-(azetidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC1
InChIInChI=1S/C9H17NO/c1-9(2,3)7-8(11)10-5-4-6-10/h4-7H2,1-3H3
InChIKeyXZXDFZKWBUZKNS-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.65
Rot. Bonds1

About 1-(azetidin-1-yl)-3,3-dimethylbutan-1-one

1-(azetidin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 58756723) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(azetidin-1-yl)-3,3-dimethylbutan-1-one
PubChem CID58756723
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(azetidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCC1
InChIInChI=1S/C9H17NO/c1-9(2,3)7-8(11)10-5-4-6-10/h4-7H2,1-3H3
InChIKeyXZXDFZKWBUZKNS-UHFFFAOYSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(azetidin-1-yl)-3,3-dimethylbutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(azetidin-1-yl)-3,3-dimethylbutan-1-one (CID 58756723) is 1-(azetidin-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(azetidin-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(azetidin-1-yl)-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is XZXDFZKWBUZKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(2,3)7-8(11)10-5-4-6-10/h4-7H2,1-3H3.
What are the key properties of 1-(azetidin-1-yl)-3,3-dimethylbutan-1-one?
1-(azetidin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 155.24 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 58756723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).