cyclohexa-3,5-diene-1,2-dione;piperazine

C10H14N2O2 — CID 174374612

IUPACcyclohexa-3,5-diene-1,2-dione;piperazine
SMILESC1CNCCN1.O=C1C=CC=CC1=O
InChIInChI=1S/C6H4O2.C4H10N2/c7-5-3-1-2-4-6(5)8;1-2-6-4-3-5-1/h1-4H;5-6H,1-4H2
InChIKeyPZYDDMJGICCHOQ-UHFFFAOYSA-N
MW194.23 g/mol
LogP-0.57
Rot. Bonds

About cyclohexa-3,5-diene-1,2-dione;piperazine

cyclohexa-3,5-diene-1,2-dione;piperazine (PubChem CID 174374612) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is cyclohexa-3,5-diene-1,2-dione;piperazine.

Molecular Properties

Compound Namecyclohexa-3,5-diene-1,2-dione;piperazine
PubChem CID174374612
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namecyclohexa-3,5-diene-1,2-dione;piperazine
SMILESC1CNCCN1.O=C1C=CC=CC1=O
InChIInChI=1S/C6H4O2.C4H10N2/c7-5-3-1-2-4-6(5)8;1-2-6-4-3-5-1/h1-4H;5-6H,1-4H2
InChIKeyPZYDDMJGICCHOQ-UHFFFAOYSA-N
XLogP-0.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-3,5-diene-1,2-dione;piperazine?
The IUPAC name of cyclohexa-3,5-diene-1,2-dione;piperazine (CID 174374612) is cyclohexa-3,5-diene-1,2-dione;piperazine.
What is the SMILES notation for cyclohexa-3,5-diene-1,2-dione;piperazine?
The canonical SMILES for cyclohexa-3,5-diene-1,2-dione;piperazine is C1CNCCN1.O=C1C=CC=CC1=O.
What is the InChIKey of cyclohexa-3,5-diene-1,2-dione;piperazine?
The InChIKey is PZYDDMJGICCHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O2.C4H10N2/c7-5-3-1-2-4-6(5)8;1-2-6-4-3-5-1/h1-4H;5-6H,1-4H2.
What are the key properties of cyclohexa-3,5-diene-1,2-dione;piperazine?
cyclohexa-3,5-diene-1,2-dione;piperazine has a molecular weight of 194.23 g/mol, XLogP of -0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-3,5-diene-1,2-dione;piperazine is sourced from PubChem (CID 174374612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).