(3Z,6Z)-3-benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione

C15H16N2O2 — CID 6109346

IUPAC(3Z,6Z)-3-benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione
SMILESCC(C)/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O
InChIInChI=1S/C15H16N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,19)(H,17,18)/b12-8-,13-9-
InChIKeyLCIIOYPBHIZBOD-JMVBYTIWSA-N
MW256.30 g/mol
LogP0.33
Rot. Bonds2

About (3Z,6Z)-3-benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione

(3Z,6Z)-3-benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione (PubChem CID 6109346) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is (3Z,6Z)-3-benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione.

Molecular Properties

Compound Name(3Z,6Z)-3-benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione
PubChem CID6109346
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name(3Z,6Z)-3-benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione
SMILESCC(C)/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O
InChIInChI=1S/C15H16N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,19)(H,17,18)/b12-8-,13-9-
InChIKeyLCIIOYPBHIZBOD-JMVBYTIWSA-N
XLogP0.33
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3Z,6Z)-3-benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione?
The IUPAC name of (3Z,6Z)-3-benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione (CID 6109346) is (3Z,6Z)-3-benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione.
What is the SMILES notation for (3Z,6Z)-3-benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione?
The canonical SMILES for (3Z,6Z)-3-benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione is CC(C)/C=c1\[nH]c(=O)/c(=C/c2ccccc2)[nH]c1=O.
What is the InChIKey of (3Z,6Z)-3-benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione?
The InChIKey is LCIIOYPBHIZBOD-JMVBYTIWSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10(2)8-12-14(18)17-13(15(19)16-12)9-11-6-4-3-5-7-11/h3-10H,1-2H3,(H,16,19)(H,17,18)/b12-8-,13-9-.
What are the key properties of (3Z,6Z)-3-benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione?
(3Z,6Z)-3-benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione has a molecular weight of 256.30 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,6Z)-3-benzylidene-6-(2-methylpropylidene)piperazine-2,5-dione is sourced from PubChem (CID 6109346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).