2-(2-oxoazetidin-1-yl)acetyl chloride

C5H6ClNO2 — CID 154256818

IUPAC2-(2-oxoazetidin-1-yl)acetyl chloride
SMILESO=C(Cl)CN1CCC1=O
InChIInChI=1S/C5H6ClNO2/c6-4(8)3-7-2-1-5(7)9/h1-3H2
InChIKeyOEOXQAQOMCOBDL-UHFFFAOYSA-N
MW147.56 g/mol
LogP-0.02
Rot. Bonds2

About 2-(2-oxoazetidin-1-yl)acetyl chloride

2-(2-oxoazetidin-1-yl)acetyl chloride (PubChem CID 154256818) has the molecular formula C5H6ClNO2 and a molecular weight of 147.56 g/mol. Its IUPAC name is 2-(2-oxoazetidin-1-yl)acetyl chloride.

Molecular Properties

Compound Name2-(2-oxoazetidin-1-yl)acetyl chloride
PubChem CID154256818
Molecular FormulaC5H6ClNO2
Molecular Weight147.56 g/mol
Exact Mass147.01
IUPAC Name2-(2-oxoazetidin-1-yl)acetyl chloride
SMILESO=C(Cl)CN1CCC1=O
InChIInChI=1S/C5H6ClNO2/c6-4(8)3-7-2-1-5(7)9/h1-3H2
InChIKeyOEOXQAQOMCOBDL-UHFFFAOYSA-N
XLogP-0.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.56
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-oxoazetidin-1-yl)acetate
CID 23049540
2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid
CID 57303794
1-(aminomethyl)azetidin-2-one
CID 70516989
1-(2,2,2-trifluoroethyl)azetidin-2-one
CID 67080567
2-[2,6-dioxo-5-(2-oxoethenyl)-1,5-diazocan-1-yl]acetic acid
CID 139993356
2-(2-oxopiperidin-1-yl)acetate
CID 18981165
1-(methoxymethyl)azetidin-2-one
CID 154386918
1-(2-oxopentyl)pyrrolidin-2-one
CID 62043134
1-(2-cyclohexyl-2-oxoethyl)azepan-2-one
CID 104751187
1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperidin-2-one
CID 62024110
1-[2-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018810
1-[(4-fluorophenyl)methyl]azetidin-2-one
CID 175277158

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazetidin-1-yl)acetyl chloride?
The IUPAC name of 2-(2-oxoazetidin-1-yl)acetyl chloride (CID 154256818) is 2-(2-oxoazetidin-1-yl)acetyl chloride.
What is the SMILES notation for 2-(2-oxoazetidin-1-yl)acetyl chloride?
The canonical SMILES for 2-(2-oxoazetidin-1-yl)acetyl chloride is O=C(Cl)CN1CCC1=O.
What is the InChIKey of 2-(2-oxoazetidin-1-yl)acetyl chloride?
The InChIKey is OEOXQAQOMCOBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO2/c6-4(8)3-7-2-1-5(7)9/h1-3H2.
What are the key properties of 2-(2-oxoazetidin-1-yl)acetyl chloride?
2-(2-oxoazetidin-1-yl)acetyl chloride has a molecular weight of 147.56 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazetidin-1-yl)acetyl chloride is sourced from PubChem (CID 154256818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).