3-benzylidene-6-propylidenepiperazine-2,5-dione

C14H14N2O2 — CID 3866178

IUPAC3-benzylidene-6-propylidenepiperazine-2,5-dione
SMILESCCC=c1[nH]c(=O)c(=Cc2ccccc2)[nH]c1=O
InChIInChI=1S/C14H14N2O2/c1-2-6-11-13(17)16-12(14(18)15-11)9-10-7-4-3-5-8-10/h3-9H,2H2,1H3,(H,15,18)(H,16,17)
InChIKeyRDYRIFXYPQHWDP-UHFFFAOYSA-N
MW242.28 g/mol
LogP0.08
Rot. Bonds2

About 3-benzylidene-6-propylidenepiperazine-2,5-dione

3-benzylidene-6-propylidenepiperazine-2,5-dione (PubChem CID 3866178) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-benzylidene-6-propylidenepiperazine-2,5-dione.

Molecular Properties

Compound Name3-benzylidene-6-propylidenepiperazine-2,5-dione
PubChem CID3866178
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-benzylidene-6-propylidenepiperazine-2,5-dione
SMILESCCC=c1[nH]c(=O)c(=Cc2ccccc2)[nH]c1=O
InChIInChI=1S/C14H14N2O2/c1-2-6-11-13(17)16-12(14(18)15-11)9-10-7-4-3-5-8-10/h3-9H,2H2,1H3,(H,15,18)(H,16,17)
InChIKeyRDYRIFXYPQHWDP-UHFFFAOYSA-N
XLogP0.08
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzylidene-6-propylidenepiperazine-2,5-dione?
The IUPAC name of 3-benzylidene-6-propylidenepiperazine-2,5-dione (CID 3866178) is 3-benzylidene-6-propylidenepiperazine-2,5-dione.
What is the SMILES notation for 3-benzylidene-6-propylidenepiperazine-2,5-dione?
The canonical SMILES for 3-benzylidene-6-propylidenepiperazine-2,5-dione is CCC=c1[nH]c(=O)c(=Cc2ccccc2)[nH]c1=O.
What is the InChIKey of 3-benzylidene-6-propylidenepiperazine-2,5-dione?
The InChIKey is RDYRIFXYPQHWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-2-6-11-13(17)16-12(14(18)15-11)9-10-7-4-3-5-8-10/h3-9H,2H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-benzylidene-6-propylidenepiperazine-2,5-dione?
3-benzylidene-6-propylidenepiperazine-2,5-dione has a molecular weight of 242.28 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylidene-6-propylidenepiperazine-2,5-dione is sourced from PubChem (CID 3866178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).