(6Z)-3-methylidene-6-(naphthalen-2-ylmethylidene)piperazine-2,5-dione

C16H12N2O2 — CID 166625305

IUPAC(6Z)-3-methylidene-6-(naphthalen-2-ylmethylidene)piperazine-2,5-dione
SMILESC=c1[nH]c(=O)/c(=C/c2ccc3ccccc3c2)[nH]c1=O
InChIInChI=1S/C16H12N2O2/c1-10-15(19)18-14(16(20)17-10)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-9H,1H2,(H,17,20)(H,18,19)/b14-9-
InChIKeyWMYSNQPMZLRAET-ZROIWOOFSA-N
MW264.28 g/mol
LogP0.46
Rot. Bonds1

About (6Z)-3-methylidene-6-(naphthalen-2-ylmethylidene)piperazine-2,5-dione

(6Z)-3-methylidene-6-(naphthalen-2-ylmethylidene)piperazine-2,5-dione (PubChem CID 166625305) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is (6Z)-3-methylidene-6-(naphthalen-2-ylmethylidene)piperazine-2,5-dione.

Molecular Properties

Compound Name(6Z)-3-methylidene-6-(naphthalen-2-ylmethylidene)piperazine-2,5-dione
PubChem CID166625305
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name(6Z)-3-methylidene-6-(naphthalen-2-ylmethylidene)piperazine-2,5-dione
SMILESC=c1[nH]c(=O)/c(=C/c2ccc3ccccc3c2)[nH]c1=O
InChIInChI=1S/C16H12N2O2/c1-10-15(19)18-14(16(20)17-10)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-9H,1H2,(H,17,20)(H,18,19)/b14-9-
InChIKeyWMYSNQPMZLRAET-ZROIWOOFSA-N
XLogP0.46
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6Z)-3-methylidene-6-(naphthalen-2-ylmethylidene)piperazine-2,5-dione?
The IUPAC name of (6Z)-3-methylidene-6-(naphthalen-2-ylmethylidene)piperazine-2,5-dione (CID 166625305) is (6Z)-3-methylidene-6-(naphthalen-2-ylmethylidene)piperazine-2,5-dione.
What is the SMILES notation for (6Z)-3-methylidene-6-(naphthalen-2-ylmethylidene)piperazine-2,5-dione?
The canonical SMILES for (6Z)-3-methylidene-6-(naphthalen-2-ylmethylidene)piperazine-2,5-dione is C=c1[nH]c(=O)/c(=C/c2ccc3ccccc3c2)[nH]c1=O.
What is the InChIKey of (6Z)-3-methylidene-6-(naphthalen-2-ylmethylidene)piperazine-2,5-dione?
The InChIKey is WMYSNQPMZLRAET-ZROIWOOFSA-N. The full InChI is InChI=1S/C16H12N2O2/c1-10-15(19)18-14(16(20)17-10)9-11-6-7-12-4-2-3-5-13(12)8-11/h2-9H,1H2,(H,17,20)(H,18,19)/b14-9-.
What are the key properties of (6Z)-3-methylidene-6-(naphthalen-2-ylmethylidene)piperazine-2,5-dione?
(6Z)-3-methylidene-6-(naphthalen-2-ylmethylidene)piperazine-2,5-dione has a molecular weight of 264.28 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-3-methylidene-6-(naphthalen-2-ylmethylidene)piperazine-2,5-dione is sourced from PubChem (CID 166625305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).