piperidine-2,6-dione;prop-2-enoate

C8H10NO4- — CID 23146134

IUPACpiperidine-2,6-dione;prop-2-enoate
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)/p-1
InChIKeyUYRCZVWCEYWONG-UHFFFAOYSA-M
MW184.17 g/mol
LogP-1.26
Rot. Bonds1

About piperidine-2,6-dione;prop-2-enoate

piperidine-2,6-dione;prop-2-enoate (PubChem CID 23146134) has the molecular formula C8H10NO4- and a molecular weight of 184.17 g/mol. Its IUPAC name is piperidine-2,6-dione;prop-2-enoate.

Molecular Properties

Compound Namepiperidine-2,6-dione;prop-2-enoate
PubChem CID23146134
Molecular FormulaC8H10NO4-
Molecular Weight184.17 g/mol
Exact Mass184.06
IUPAC Namepiperidine-2,6-dione;prop-2-enoate
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)/p-1
InChIKeyUYRCZVWCEYWONG-UHFFFAOYSA-M
XLogP-1.26
TPSA86.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-enoate?
The IUPAC name of piperidine-2,6-dione;prop-2-enoate (CID 23146134) is piperidine-2,6-dione;prop-2-enoate.
What is the SMILES notation for piperidine-2,6-dione;prop-2-enoate?
The canonical SMILES for piperidine-2,6-dione;prop-2-enoate is C=CC(=O)[O-].O=C1CCCC(=O)N1.
What is the InChIKey of piperidine-2,6-dione;prop-2-enoate?
The InChIKey is UYRCZVWCEYWONG-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of piperidine-2,6-dione;prop-2-enoate?
piperidine-2,6-dione;prop-2-enoate has a molecular weight of 184.17 g/mol, XLogP of -1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-2,6-dione;prop-2-enoate is sourced from PubChem (CID 23146134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).