(3E)-3-benzylidenepiperazine-2,5-dione

C11H10N2O2 — CID 15557748

IUPAC(3E)-3-benzylidenepiperazine-2,5-dione
SMILESO=C1CNC(=O)/C(=C\c2ccccc2)N1
InChIInChI=1S/C11H10N2O2/c14-10-7-12-11(15)9(13-10)6-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,15)(H,13,14)/b9-6+
InChIKeyAFBRZIIBSVQJPB-RMKNXTFCSA-N
MW202.21 g/mol
LogP0.27
Rot. Bonds1

About (3E)-3-benzylidenepiperazine-2,5-dione

(3E)-3-benzylidenepiperazine-2,5-dione (PubChem CID 15557748) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is (3E)-3-benzylidenepiperazine-2,5-dione.

Molecular Properties

Compound Name(3E)-3-benzylidenepiperazine-2,5-dione
PubChem CID15557748
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name(3E)-3-benzylidenepiperazine-2,5-dione
SMILESO=C1CNC(=O)/C(=C\c2ccccc2)N1
InChIInChI=1S/C11H10N2O2/c14-10-7-12-11(15)9(13-10)6-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,15)(H,13,14)/b9-6+
InChIKeyAFBRZIIBSVQJPB-RMKNXTFCSA-N
XLogP0.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-benzylidenepiperazine-2,5-dione?
The IUPAC name of (3E)-3-benzylidenepiperazine-2,5-dione (CID 15557748) is (3E)-3-benzylidenepiperazine-2,5-dione.
What is the SMILES notation for (3E)-3-benzylidenepiperazine-2,5-dione?
The canonical SMILES for (3E)-3-benzylidenepiperazine-2,5-dione is O=C1CNC(=O)/C(=C\c2ccccc2)N1.
What is the InChIKey of (3E)-3-benzylidenepiperazine-2,5-dione?
The InChIKey is AFBRZIIBSVQJPB-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H10N2O2/c14-10-7-12-11(15)9(13-10)6-8-4-2-1-3-5-8/h1-6H,7H2,(H,12,15)(H,13,14)/b9-6+.
What are the key properties of (3E)-3-benzylidenepiperazine-2,5-dione?
(3E)-3-benzylidenepiperazine-2,5-dione has a molecular weight of 202.21 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-benzylidenepiperazine-2,5-dione is sourced from PubChem (CID 15557748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).