2,6-dioxopiperidine-4-carbonyl chloride

C6H6ClNO3 — CID 10487490

IUPAC2,6-dioxopiperidine-4-carbonyl chloride
SMILESO=C1CC(C(=O)Cl)CC(=O)N1
InChIInChI=1S/C6H6ClNO3/c7-6(11)3-1-4(9)8-5(10)2-3/h3H,1-2H2,(H,8,9,10)
InChIKeyQTNYSISDOMRSCT-UHFFFAOYSA-N
MW175.57 g/mol
LogP-0.20
Rot. Bonds1

About 2,6-dioxopiperidine-4-carbonyl chloride

2,6-dioxopiperidine-4-carbonyl chloride (PubChem CID 10487490) has the molecular formula C6H6ClNO3 and a molecular weight of 175.57 g/mol. Its IUPAC name is 2,6-dioxopiperidine-4-carbonyl chloride.

Molecular Properties

Compound Name2,6-dioxopiperidine-4-carbonyl chloride
PubChem CID10487490
Molecular FormulaC6H6ClNO3
Molecular Weight175.57 g/mol
Exact Mass175.00
IUPAC Name2,6-dioxopiperidine-4-carbonyl chloride
SMILESO=C1CC(C(=O)Cl)CC(=O)N1
InChIInChI=1S/C6H6ClNO3/c7-6(11)3-1-4(9)8-5(10)2-3/h3H,1-2H2,(H,8,9,10)
InChIKeyQTNYSISDOMRSCT-UHFFFAOYSA-N
XLogP-0.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.57
LogP ≤ 5-0.20
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 2,6-dioxopiperidine-4-carbonyl chloride?
The IUPAC name of 2,6-dioxopiperidine-4-carbonyl chloride (CID 10487490) is 2,6-dioxopiperidine-4-carbonyl chloride.
What is the SMILES notation for 2,6-dioxopiperidine-4-carbonyl chloride?
The canonical SMILES for 2,6-dioxopiperidine-4-carbonyl chloride is O=C1CC(C(=O)Cl)CC(=O)N1.
What is the InChIKey of 2,6-dioxopiperidine-4-carbonyl chloride?
The InChIKey is QTNYSISDOMRSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO3/c7-6(11)3-1-4(9)8-5(10)2-3/h3H,1-2H2,(H,8,9,10).
What are the key properties of 2,6-dioxopiperidine-4-carbonyl chloride?
2,6-dioxopiperidine-4-carbonyl chloride has a molecular weight of 175.57 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dioxopiperidine-4-carbonyl chloride is sourced from PubChem (CID 10487490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).