3-(piperidin-1-ylmethylidene)pyrrolidine-2,4-dione

C10H14N2O2 — CID 3428337

IUPAC3-(piperidin-1-ylmethylidene)pyrrolidine-2,4-dione
SMILESO=C1CNC(=O)C1=CN1CCCCC1
InChIInChI=1S/C10H14N2O2/c13-9-6-11-10(14)8(9)7-12-4-2-1-3-5-12/h7H,1-6H2,(H,11,14)
InChIKeyORDYICZPIDQGMK-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.06
Rot. Bonds1

About 3-(piperidin-1-ylmethylidene)pyrrolidine-2,4-dione

3-(piperidin-1-ylmethylidene)pyrrolidine-2,4-dione (PubChem CID 3428337) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(piperidin-1-ylmethylidene)pyrrolidine-2,4-dione.

Molecular Properties

Compound Name3-(piperidin-1-ylmethylidene)pyrrolidine-2,4-dione
PubChem CID3428337
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(piperidin-1-ylmethylidene)pyrrolidine-2,4-dione
SMILESO=C1CNC(=O)C1=CN1CCCCC1
InChIInChI=1S/C10H14N2O2/c13-9-6-11-10(14)8(9)7-12-4-2-1-3-5-12/h7H,1-6H2,(H,11,14)
InChIKeyORDYICZPIDQGMK-UHFFFAOYSA-N
XLogP0.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-1-ylmethylidene)pyrrolidine-2,4-dione?
The IUPAC name of 3-(piperidin-1-ylmethylidene)pyrrolidine-2,4-dione (CID 3428337) is 3-(piperidin-1-ylmethylidene)pyrrolidine-2,4-dione.
What is the SMILES notation for 3-(piperidin-1-ylmethylidene)pyrrolidine-2,4-dione?
The canonical SMILES for 3-(piperidin-1-ylmethylidene)pyrrolidine-2,4-dione is O=C1CNC(=O)C1=CN1CCCCC1.
What is the InChIKey of 3-(piperidin-1-ylmethylidene)pyrrolidine-2,4-dione?
The InChIKey is ORDYICZPIDQGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-9-6-11-10(14)8(9)7-12-4-2-1-3-5-12/h7H,1-6H2,(H,11,14).
What are the key properties of 3-(piperidin-1-ylmethylidene)pyrrolidine-2,4-dione?
3-(piperidin-1-ylmethylidene)pyrrolidine-2,4-dione has a molecular weight of 194.23 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-1-ylmethylidene)pyrrolidine-2,4-dione is sourced from PubChem (CID 3428337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).