4-butyl-4-methylazetidin-2-one

C8H15NO — CID 100957433

IUPAC4-butyl-4-methylazetidin-2-one
SMILESCCCCC1(C)CC(=O)N1
InChIInChI=1S/C8H15NO/c1-3-4-5-8(2)6-7(10)9-8/h3-6H2,1-2H3,(H,9,10)
InChIKeyHIOQBZLVPFTRQH-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.46
Rot. Bonds3

About 4-butyl-4-methylazetidin-2-one

4-butyl-4-methylazetidin-2-one (PubChem CID 100957433) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-butyl-4-methylazetidin-2-one.

Molecular Properties

Compound Name4-butyl-4-methylazetidin-2-one
PubChem CID100957433
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-butyl-4-methylazetidin-2-one
SMILESCCCCC1(C)CC(=O)N1
InChIInChI=1S/C8H15NO/c1-3-4-5-8(2)6-7(10)9-8/h3-6H2,1-2H3,(H,9,10)
InChIKeyHIOQBZLVPFTRQH-UHFFFAOYSA-N
XLogP1.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-4-methylazetidin-2-one?
The IUPAC name of 4-butyl-4-methylazetidin-2-one (CID 100957433) is 4-butyl-4-methylazetidin-2-one.
What is the SMILES notation for 4-butyl-4-methylazetidin-2-one?
The canonical SMILES for 4-butyl-4-methylazetidin-2-one is CCCCC1(C)CC(=O)N1.
What is the InChIKey of 4-butyl-4-methylazetidin-2-one?
The InChIKey is HIOQBZLVPFTRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-4-5-8(2)6-7(10)9-8/h3-6H2,1-2H3,(H,9,10).
What are the key properties of 4-butyl-4-methylazetidin-2-one?
4-butyl-4-methylazetidin-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-4-methylazetidin-2-one is sourced from PubChem (CID 100957433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).