(5Z)-5-benzylidene-1-methyl-2-propan-2-ylidene-1,3-diazinane-4,6-dione

C15H16N2O2 — CID 143386386

IUPAC(5Z)-5-benzylidene-1-methyl-2-propan-2-ylidene-1,3-diazinane-4,6-dione
SMILESCC(C)=c1[nH]c(=O)/c(=C/c2ccccc2)c(=O)n1C
InChIInChI=1S/C15H16N2O2/c1-10(2)13-16-14(18)12(15(19)17(13)3)9-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,16,18)/b12-9-
InChIKeyGEIQHQOURYEFRG-XFXZXTDPSA-N
MW256.31 g/mol
LogP0.09
Rot. Bonds1

About (5Z)-5-benzylidene-1-methyl-2-propan-2-ylidene-1,3-diazinane-4,6-dione

(5Z)-5-benzylidene-1-methyl-2-propan-2-ylidene-1,3-diazinane-4,6-dione (PubChem CID 143386386) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (5Z)-5-benzylidene-1-methyl-2-propan-2-ylidene-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name(5Z)-5-benzylidene-1-methyl-2-propan-2-ylidene-1,3-diazinane-4,6-dione
PubChem CID143386386
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(5Z)-5-benzylidene-1-methyl-2-propan-2-ylidene-1,3-diazinane-4,6-dione
SMILESCC(C)=c1[nH]c(=O)/c(=C/c2ccccc2)c(=O)n1C
InChIInChI=1S/C15H16N2O2/c1-10(2)13-16-14(18)12(15(19)17(13)3)9-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,16,18)/b12-9-
InChIKeyGEIQHQOURYEFRG-XFXZXTDPSA-N
XLogP0.09
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5Z)-5-benzylidene-1-methyl-2-propan-2-ylidene-1,3-diazinane-4,6-dione with MolForge

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Related Compounds

(5Z)-5-benzylidene-1-methyl-2-methylidene-1,3-diazinane-4,6-dione
CID 143386373
(3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione
CID 6992142
4-benzylidene-5-(hydroxymethylidene)pyrazolidin-3-one
CID 123412789
(3Z,6Z)-3-benzylidene-1-methyl-6-(thiophen-3-ylmethylidene)piperazine-2,5-dione
CID 67578516
2-[(Z)-[(5Z)-5-benzylidene-1-methyl-3,6-dioxopiperazin-2-ylidene]methyl]benzamide
CID 67851583
(5Z)-3-methyl-2-propan-2-ylidene-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)imidazolidin-4-one
CID 123774125
3-benzylidene-6-propylidenepiperazine-2,5-dione
CID 3866178
3,4-dibenzylidene-1-methylpyrrolidine-2,5-dione
CID 54410030
(3E,6E)-3-benzylidene-6-[(E)-but-2-enylidene]piperazine-2,5-dione
CID 54610923
(3E,6E)-3-benzylidene-6-but-2-enylidenepiperazine-2,5-dione
CID 5359203
4-benzylidenepyrazolidine-3,5-dione
CID 68539282
[4-[(5-benzylidene-1,4-dimethyl-3,6-dioxopiperazin-2-ylidene)methyl]phenyl]methyl acetate
CID 67807441

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-1-methyl-2-propan-2-ylidene-1,3-diazinane-4,6-dione?
The IUPAC name of (5Z)-5-benzylidene-1-methyl-2-propan-2-ylidene-1,3-diazinane-4,6-dione (CID 143386386) is (5Z)-5-benzylidene-1-methyl-2-propan-2-ylidene-1,3-diazinane-4,6-dione.
What is the SMILES notation for (5Z)-5-benzylidene-1-methyl-2-propan-2-ylidene-1,3-diazinane-4,6-dione?
The canonical SMILES for (5Z)-5-benzylidene-1-methyl-2-propan-2-ylidene-1,3-diazinane-4,6-dione is CC(C)=c1[nH]c(=O)/c(=C/c2ccccc2)c(=O)n1C.
What is the InChIKey of (5Z)-5-benzylidene-1-methyl-2-propan-2-ylidene-1,3-diazinane-4,6-dione?
The InChIKey is GEIQHQOURYEFRG-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10(2)13-16-14(18)12(15(19)17(13)3)9-11-7-5-4-6-8-11/h4-9H,1-3H3,(H,16,18)/b12-9-.
What are the key properties of (5Z)-5-benzylidene-1-methyl-2-propan-2-ylidene-1,3-diazinane-4,6-dione?
(5Z)-5-benzylidene-1-methyl-2-propan-2-ylidene-1,3-diazinane-4,6-dione has a molecular weight of 256.31 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-1-methyl-2-propan-2-ylidene-1,3-diazinane-4,6-dione is sourced from PubChem (CID 143386386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).