3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione

C10H17N3O2 — CID 2989013

IUPAC3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCCN1CCN(C2CC(=O)NC2=O)CC1
InChIInChI=1S/C10H17N3O2/c1-2-12-3-5-13(6-4-12)8-7-9(14)11-10(8)15/h8H,2-7H2,1H3,(H,11,14,15)
InChIKeyJPCMYTNTHLSCFK-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.96
Rot. Bonds2

About 3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione

3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione (PubChem CID 2989013) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
PubChem CID2989013
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
SMILESCCN1CCN(C2CC(=O)NC2=O)CC1
InChIInChI=1S/C10H17N3O2/c1-2-12-3-5-13(6-4-12)8-7-9(14)11-10(8)15/h8H,2-7H2,1H3,(H,11,14,15)
InChIKeyJPCMYTNTHLSCFK-UHFFFAOYSA-N
XLogP-0.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione (CID 2989013) is 3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione is CCN1CCN(C2CC(=O)NC2=O)CC1.
What is the InChIKey of 3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is JPCMYTNTHLSCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-12-3-5-13(6-4-12)8-7-9(14)11-10(8)15/h8H,2-7H2,1H3,(H,11,14,15).
What are the key properties of 3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione?
3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 211.26 g/mol, XLogP of -0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2989013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).