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

C11H18N2O2 — CID 142164438

IUPAC3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione;molecular hydrogen
SMILESO=C1CNC(=O)C(CC2=CCCC=C2)N1.[H][H].[H][H]
InChIInChI=1S/C11H14N2O2.2H2/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);2*1H
InChIKeyOFXFMOURYMPDDI-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.76
Rot. Bonds2

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

3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione;molecular hydrogen (PubChem CID 142164438) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione;molecular hydrogen.

Molecular Properties

Compound Name3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione;molecular hydrogen
PubChem CID142164438
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione;molecular hydrogen
SMILESO=C1CNC(=O)C(CC2=CCCC=C2)N1.[H][H].[H][H]
InChIInChI=1S/C11H14N2O2.2H2/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);2*1H
InChIKeyOFXFMOURYMPDDI-UHFFFAOYSA-N
XLogP0.76
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.76
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;molecular hydrogen?
The IUPAC name of 3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione;molecular hydrogen (CID 142164438) is 3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione;molecular hydrogen.
What is the SMILES notation for 3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione;molecular hydrogen?
The canonical SMILES for 3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione;molecular hydrogen is O=C1CNC(=O)C(CC2=CCCC=C2)N1.[H][H].[H][H].
What is the InChIKey of 3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione;molecular hydrogen?
The InChIKey is OFXFMOURYMPDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2.2H2/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);2*1H.
What are the key properties of 3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione;molecular hydrogen?
3-(cyclohexa-1,5-dien-1-ylmethyl)piperazine-2,5-dione;molecular hydrogen has a molecular weight of 210.28 g/mol, XLogP of 0.76, 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;molecular hydrogen is sourced from PubChem (CID 142164438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).