3-(chloromethyl)-3-methyl-1-propylazetidin-2-one

C8H14ClNO — CID 15179346

IUPAC3-(chloromethyl)-3-methyl-1-propylazetidin-2-one
SMILESCCCN1CC(C)(CCl)C1=O
InChIInChI=1S/C8H14ClNO/c1-3-4-10-6-8(2,5-9)7(10)11/h3-6H2,1-2H3
InChIKeyRCNWXWHSZPCFFG-UHFFFAOYSA-N
MW175.66 g/mol
LogP1.48
Rot. Bonds3

About 3-(chloromethyl)-3-methyl-1-propylazetidin-2-one

3-(chloromethyl)-3-methyl-1-propylazetidin-2-one (PubChem CID 15179346) has the molecular formula C8H14ClNO and a molecular weight of 175.66 g/mol. Its IUPAC name is 3-(chloromethyl)-3-methyl-1-propylazetidin-2-one.

Molecular Properties

Compound Name3-(chloromethyl)-3-methyl-1-propylazetidin-2-one
PubChem CID15179346
Molecular FormulaC8H14ClNO
Molecular Weight175.66 g/mol
Exact Mass175.08
IUPAC Name3-(chloromethyl)-3-methyl-1-propylazetidin-2-one
SMILESCCCN1CC(C)(CCl)C1=O
InChIInChI=1S/C8H14ClNO/c1-3-4-10-6-8(2,5-9)7(10)11/h3-6H2,1-2H3
InChIKeyRCNWXWHSZPCFFG-UHFFFAOYSA-N
XLogP1.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.66
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-(chloromethyl)-3-methyl-1-propylazetidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3-(Chloromethyl)-1,3-dimethylazetidin-2-one
CID 132398590
3-(Chloromethyl)-1-cyclopropyl-3-methylazetidin-2-one
CID 137951582
3,3-Bis(chloromethyl)-1-methylazetidin-2-one
CID 137951723
3-(Chloromethyl)-1-ethyl-3-methylazetidin-2-one
CID 137963808
3,3-Bis(chloromethyl)-1-cyclopropylazetidin-2-one
CID 137963820
3,3-Bis(chloromethyl)-1-ethylazetidin-2-one
CID 137964015
3-(Chloromethyl)-3-methyl-1-(2,2,2-trifluoroethyl)azetidin-2-one
CID 137964016
3-(Chloromethyl)-3-methyl-1-(prop-2-en-1-yl)azetidin-2-one
CID 138039656
1-(2,2-Dimethylpropyl)azetidin-2-one
CID 123450643
1-Butyl-3-(chloromethyl)-3-methylazetidin-2-one
CID 15179342
1-Butyl-3,3-bis(chloromethyl)azetidin-2-one
CID 15179343
1-(2-Chloroethyl)azetidin-2-one
CID 20378088

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-3-methyl-1-propylazetidin-2-one?
The IUPAC name of 3-(chloromethyl)-3-methyl-1-propylazetidin-2-one (CID 15179346) is 3-(chloromethyl)-3-methyl-1-propylazetidin-2-one.
What is the SMILES notation for 3-(chloromethyl)-3-methyl-1-propylazetidin-2-one?
The canonical SMILES for 3-(chloromethyl)-3-methyl-1-propylazetidin-2-one is CCCN1CC(C)(CCl)C1=O.
What is the InChIKey of 3-(chloromethyl)-3-methyl-1-propylazetidin-2-one?
The InChIKey is RCNWXWHSZPCFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO/c1-3-4-10-6-8(2,5-9)7(10)11/h3-6H2,1-2H3.
What are the key properties of 3-(chloromethyl)-3-methyl-1-propylazetidin-2-one?
3-(chloromethyl)-3-methyl-1-propylazetidin-2-one has a molecular weight of 175.66 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-3-methyl-1-propylazetidin-2-one is sourced from PubChem (CID 15179346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).