4-(2-methylazetidin-1-yl)butan-2-one

C8H15NO — CID 558518

IUPAC4-(2-methylazetidin-1-yl)butan-2-one
SMILESCC(=O)CCN1CCC1C
InChIInChI=1S/C8H15NO/c1-7-3-5-9(7)6-4-8(2)10/h7H,3-6H2,1-2H3
InChIKeyLFVIRLZLDZTNPG-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.06
Rot. Bonds3

About 4-(2-methylazetidin-1-yl)butan-2-one

4-(2-methylazetidin-1-yl)butan-2-one (PubChem CID 558518) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-(2-methylazetidin-1-yl)butan-2-one.

Molecular Properties

Compound Name4-(2-methylazetidin-1-yl)butan-2-one
PubChem CID558518
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-(2-methylazetidin-1-yl)butan-2-one
SMILESCC(=O)CCN1CCC1C
InChIInChI=1S/C8H15NO/c1-7-3-5-9(7)6-4-8(2)10/h7H,3-6H2,1-2H3
InChIKeyLFVIRLZLDZTNPG-UHFFFAOYSA-N
XLogP1.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylazetidin-1-yl)butan-2-one?
The IUPAC name of 4-(2-methylazetidin-1-yl)butan-2-one (CID 558518) is 4-(2-methylazetidin-1-yl)butan-2-one.
What is the SMILES notation for 4-(2-methylazetidin-1-yl)butan-2-one?
The canonical SMILES for 4-(2-methylazetidin-1-yl)butan-2-one is CC(=O)CCN1CCC1C.
What is the InChIKey of 4-(2-methylazetidin-1-yl)butan-2-one?
The InChIKey is LFVIRLZLDZTNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7-3-5-9(7)6-4-8(2)10/h7H,3-6H2,1-2H3.
What are the key properties of 4-(2-methylazetidin-1-yl)butan-2-one?
4-(2-methylazetidin-1-yl)butan-2-one has a molecular weight of 141.21 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylazetidin-1-yl)butan-2-one is sourced from PubChem (CID 558518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).