2-(2,6-dioxopiperidin-4-yl)acetyl chloride

C7H8ClNO3 — CID 15173726

IUPAC2-(2,6-dioxopiperidin-4-yl)acetyl chloride
SMILESO=C(Cl)CC1CC(=O)NC(=O)C1
InChIInChI=1S/C7H8ClNO3/c8-5(10)1-4-2-6(11)9-7(12)3-4/h4H,1-3H2,(H,9,11,12)
InChIKeyZQTGHSFCLOUPSP-UHFFFAOYSA-N
MW189.60 g/mol
LogP0.19
Rot. Bonds2

About 2-(2,6-dioxopiperidin-4-yl)acetyl chloride

2-(2,6-dioxopiperidin-4-yl)acetyl chloride (PubChem CID 15173726) has the molecular formula C7H8ClNO3 and a molecular weight of 189.60 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-4-yl)acetyl chloride.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-4-yl)acetyl chloride
PubChem CID15173726
Molecular FormulaC7H8ClNO3
Molecular Weight189.60 g/mol
Exact Mass189.02
IUPAC Name2-(2,6-dioxopiperidin-4-yl)acetyl chloride
SMILESO=C(Cl)CC1CC(=O)NC(=O)C1
InChIInChI=1S/C7H8ClNO3/c8-5(10)1-4-2-6(11)9-7(12)3-4/h4H,1-3H2,(H,9,11,12)
InChIKeyZQTGHSFCLOUPSP-UHFFFAOYSA-N
XLogP0.19
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-4-yl)acetyl chloride?
The IUPAC name of 2-(2,6-dioxopiperidin-4-yl)acetyl chloride (CID 15173726) is 2-(2,6-dioxopiperidin-4-yl)acetyl chloride.
What is the SMILES notation for 2-(2,6-dioxopiperidin-4-yl)acetyl chloride?
The canonical SMILES for 2-(2,6-dioxopiperidin-4-yl)acetyl chloride is O=C(Cl)CC1CC(=O)NC(=O)C1.
What is the InChIKey of 2-(2,6-dioxopiperidin-4-yl)acetyl chloride?
The InChIKey is ZQTGHSFCLOUPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO3/c8-5(10)1-4-2-6(11)9-7(12)3-4/h4H,1-3H2,(H,9,11,12).
What are the key properties of 2-(2,6-dioxopiperidin-4-yl)acetyl chloride?
2-(2,6-dioxopiperidin-4-yl)acetyl chloride has a molecular weight of 189.60 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-4-yl)acetyl chloride is sourced from PubChem (CID 15173726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).