4-(cyclopent-3-ene-1-carbonyl)piperazine-2,6-dione

C10H12N2O3 — CID 66082955

IUPAC4-(cyclopent-3-ene-1-carbonyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)C2CC=CC2)CC(=O)N1
InChIInChI=1S/C10H12N2O3/c13-8-5-12(6-9(14)11-8)10(15)7-3-1-2-4-7/h1-2,7H,3-6H2,(H,11,13,14)
InChIKeyWMJAQQPWVAWSGC-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.56
Rot. Bonds1

About 4-(cyclopent-3-ene-1-carbonyl)piperazine-2,6-dione

4-(cyclopent-3-ene-1-carbonyl)piperazine-2,6-dione (PubChem CID 66082955) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-(cyclopent-3-ene-1-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(cyclopent-3-ene-1-carbonyl)piperazine-2,6-dione
PubChem CID66082955
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name4-(cyclopent-3-ene-1-carbonyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)C2CC=CC2)CC(=O)N1
InChIInChI=1S/C10H12N2O3/c13-8-5-12(6-9(14)11-8)10(15)7-3-1-2-4-7/h1-2,7H,3-6H2,(H,11,13,14)
InChIKeyWMJAQQPWVAWSGC-UHFFFAOYSA-N
XLogP-0.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopent-3-ene-1-carbonyl)piperazine-2,6-dione?
The IUPAC name of 4-(cyclopent-3-ene-1-carbonyl)piperazine-2,6-dione (CID 66082955) is 4-(cyclopent-3-ene-1-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(cyclopent-3-ene-1-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(cyclopent-3-ene-1-carbonyl)piperazine-2,6-dione is O=C1CN(C(=O)C2CC=CC2)CC(=O)N1.
What is the InChIKey of 4-(cyclopent-3-ene-1-carbonyl)piperazine-2,6-dione?
The InChIKey is WMJAQQPWVAWSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-8-5-12(6-9(14)11-8)10(15)7-3-1-2-4-7/h1-2,7H,3-6H2,(H,11,13,14).
What are the key properties of 4-(cyclopent-3-ene-1-carbonyl)piperazine-2,6-dione?
4-(cyclopent-3-ene-1-carbonyl)piperazine-2,6-dione has a molecular weight of 208.22 g/mol, XLogP of -0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopent-3-ene-1-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66082955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).