piperidine-2,6-dione;prop-2-enoic acid

C8H11NO4 — CID 69098530

IUPACpiperidine-2,6-dione;prop-2-enoic acid
SMILESC=CC(=O)O.O=C1CCCC(=O)N1
InChIInChI=1S/C5H7NO2.C3H4O2/c7-4-2-1-3-5(8)6-4;1-2-3(4)5/h1-3H2,(H,6,7,8);2H,1H2,(H,4,5)
InChIKeyUYRCZVWCEYWONG-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.07
Rot. Bonds1

About piperidine-2,6-dione;prop-2-enoic acid

piperidine-2,6-dione;prop-2-enoic acid (PubChem CID 69098530) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is piperidine-2,6-dione;prop-2-enoic acid.

Molecular Properties

Compound Namepiperidine-2,6-dione;prop-2-enoic acid
PubChem CID69098530
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Namepiperidine-2,6-dione;prop-2-enoic acid
SMILESC=CC(=O)O.O=C1CCCC(=O)N1
InChIInChI=1S/C5H7NO2.C3H4O2/c7-4-2-1-3-5(8)6-4;1-2-3(4)5/h1-3H2,(H,6,7,8);2H,1H2,(H,4,5)
InChIKeyUYRCZVWCEYWONG-UHFFFAOYSA-N
XLogP0.07
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperidine-2,6-dione;prop-2-enoic acid?
The IUPAC name of piperidine-2,6-dione;prop-2-enoic acid (CID 69098530) is piperidine-2,6-dione;prop-2-enoic acid.
What is the SMILES notation for piperidine-2,6-dione;prop-2-enoic acid?
The canonical SMILES for piperidine-2,6-dione;prop-2-enoic acid is C=CC(=O)O.O=C1CCCC(=O)N1.
What is the InChIKey of piperidine-2,6-dione;prop-2-enoic acid?
The InChIKey is UYRCZVWCEYWONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2.C3H4O2/c7-4-2-1-3-5(8)6-4;1-2-3(4)5/h1-3H2,(H,6,7,8);2H,1H2,(H,4,5).
What are the key properties of piperidine-2,6-dione;prop-2-enoic acid?
piperidine-2,6-dione;prop-2-enoic acid has a molecular weight of 185.18 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-2,6-dione;prop-2-enoic acid is sourced from PubChem (CID 69098530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).