3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione

C11H14N2O2 — CID 142164220

IUPAC3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione
SMILESO=C1CNC(=O)C(CC2=CCCC=C2)N1
InChIInChI=1S/C11H14N2O2/c14-10-7-12-11(15)9(13-10)6-8-4-2-1-3-5-8/h2,4-5,9H,1,3,6-7H2,(H,12,15)(H,13,14)
InChIKeyFNRXYLVPIYPIPQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.27
Rot. Bonds2

About 3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione

3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione (PubChem CID 142164220) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione
PubChem CID142164220
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione
SMILESO=C1CNC(=O)C(CC2=CCCC=C2)N1
InChIInChI=1S/C11H14N2O2/c14-10-7-12-11(15)9(13-10)6-8-4-2-1-3-5-8/h2,4-5,9H,1,3,6-7H2,(H,12,15)(H,13,14)
InChIKeyFNRXYLVPIYPIPQ-UHFFFAOYSA-N
XLogP0.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione?
The IUPAC name of 3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione (CID 142164220) is 3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione?
The canonical SMILES for 3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione is O=C1CNC(=O)C(CC2=CCCC=C2)N1.
What is the InChIKey of 3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione?
The InChIKey is FNRXYLVPIYPIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-10-7-12-11(15)9(13-10)6-8-4-2-1-3-5-8/h2,4-5,9H,1,3,6-7H2,(H,12,15)(H,13,14).
What are the key properties of 3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione?
3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione has a molecular weight of 206.24 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione is sourced from PubChem (CID 142164220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).