ethane;piperazine-2,6-dione

C6H12N2O2 — CID 144998581

IUPACethane;piperazine-2,6-dione
SMILESCC.O=C1CNCC(=O)N1
InChIInChI=1S/C4H6N2O2.C2H6/c7-3-1-5-2-4(8)6-3;1-2/h5H,1-2H2,(H,6,7,8);1-2H3
InChIKeyRVCYLTRXYXKBAH-UHFFFAOYSA-N
MW144.17 g/mol
LogP-0.74
Rot. Bonds

About ethane;piperazine-2,6-dione

ethane;piperazine-2,6-dione (PubChem CID 144998581) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is ethane;piperazine-2,6-dione.

Molecular Properties

Compound Nameethane;piperazine-2,6-dione
PubChem CID144998581
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Nameethane;piperazine-2,6-dione
SMILESCC.O=C1CNCC(=O)N1
InChIInChI=1S/C4H6N2O2.C2H6/c7-3-1-5-2-4(8)6-3;1-2/h5H,1-2H2,(H,6,7,8);1-2H3
InChIKeyRVCYLTRXYXKBAH-UHFFFAOYSA-N
XLogP-0.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 5-0.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-Piperazinedione
CID 7817
1-Acetylpiperazine
CID 83795
2,3-Piperazinedione
CID 72761
1-Ethyl-2,3-piperazinedione
CID 108812
Fibrins
CID 439199
Piperazin-2-one
CID 231360
N-Acetylglycinamide
CID 28326
Glycylglycinamide
CID 437662
4-Methylpiperazine-2,6-dione
CID 124723
2,3-Piperazinedione, 1-methyl-
CID 3042433
1-Methylpiperazine-2,5-dione
CID 260137
1-Methyl-3-oxopiperazine
CID 13704283

Frequently Asked Questions

What is the IUPAC name of ethane;piperazine-2,6-dione?
The IUPAC name of ethane;piperazine-2,6-dione (CID 144998581) is ethane;piperazine-2,6-dione.
What is the SMILES notation for ethane;piperazine-2,6-dione?
The canonical SMILES for ethane;piperazine-2,6-dione is CC.O=C1CNCC(=O)N1.
What is the InChIKey of ethane;piperazine-2,6-dione?
The InChIKey is RVCYLTRXYXKBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2.C2H6/c7-3-1-5-2-4(8)6-3;1-2/h5H,1-2H2,(H,6,7,8);1-2H3.
What are the key properties of ethane;piperazine-2,6-dione?
ethane;piperazine-2,6-dione has a molecular weight of 144.17 g/mol, XLogP of -0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;piperazine-2,6-dione is sourced from PubChem (CID 144998581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).