1-(azetidin-1-yl)-2-chloroethanone

C5H8ClNO — CID 2543159

IUPAC1-(azetidin-1-yl)-2-chloroethanone
SMILESO=C(CCl)N1CCC1
InChIInChI=1S/C5H8ClNO/c6-4-5(8)7-2-1-3-7/h1-4H2
InChIKeyDLDWKQVABUJWBD-UHFFFAOYSA-N
MW133.58 g/mol
LogP0.46
Rot. Bonds1

About 1-(azetidin-1-yl)-2-chloroethanone

1-(azetidin-1-yl)-2-chloroethanone (PubChem CID 2543159) has the molecular formula C5H8ClNO and a molecular weight of 133.58 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-chloroethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-chloroethanone
PubChem CID2543159
Molecular FormulaC5H8ClNO
Molecular Weight133.58 g/mol
Exact Mass133.03
IUPAC Name1-(azetidin-1-yl)-2-chloroethanone
SMILESO=C(CCl)N1CCC1
InChIInChI=1S/C5H8ClNO/c6-4-5(8)7-2-1-3-7/h1-4H2
InChIKeyDLDWKQVABUJWBD-UHFFFAOYSA-N
XLogP0.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.58
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-chloroethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-chloroethanone (CID 2543159) is 1-(azetidin-1-yl)-2-chloroethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-chloroethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-chloroethanone is O=C(CCl)N1CCC1.
What is the InChIKey of 1-(azetidin-1-yl)-2-chloroethanone?
The InChIKey is DLDWKQVABUJWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClNO/c6-4-5(8)7-2-1-3-7/h1-4H2.
What are the key properties of 1-(azetidin-1-yl)-2-chloroethanone?
1-(azetidin-1-yl)-2-chloroethanone has a molecular weight of 133.58 g/mol, XLogP of 0.46, 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)-2-chloroethanone is sourced from PubChem (CID 2543159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).