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

C13H12N2O2 — CID 143386373

IUPAC(5Z)-5-benzylidene-1-methyl-2-methylidene-1,3-diazinane-4,6-dione
SMILESC=c1[nH]c(=O)/c(=C/c2ccccc2)c(=O)n1C
InChIInChI=1S/C13H12N2O2/c1-9-14-12(16)11(13(17)15(9)2)8-10-6-4-3-5-7-10/h3-8H,1H2,2H3,(H,14,16)/b11-8-
InChIKeyCEAIQARWMACCHM-FLIBITNWSA-N
MW228.25 g/mol
LogP-0.69
Rot. Bonds1

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

(5Z)-5-benzylidene-1-methyl-2-methylidene-1,3-diazinane-4,6-dione (PubChem CID 143386373) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is (5Z)-5-benzylidene-1-methyl-2-methylidene-1,3-diazinane-4,6-dione.

Molecular Properties

Compound Name(5Z)-5-benzylidene-1-methyl-2-methylidene-1,3-diazinane-4,6-dione
PubChem CID143386373
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name(5Z)-5-benzylidene-1-methyl-2-methylidene-1,3-diazinane-4,6-dione
SMILESC=c1[nH]c(=O)/c(=C/c2ccccc2)c(=O)n1C
InChIInChI=1S/C13H12N2O2/c1-9-14-12(16)11(13(17)15(9)2)8-10-6-4-3-5-7-10/h3-8H,1H2,2H3,(H,14,16)/b11-8-
InChIKeyCEAIQARWMACCHM-FLIBITNWSA-N
XLogP-0.69
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-5-benzylidene-1-methyl-2-propan-2-ylidene-1,3-diazinane-4,6-dione
CID 143386386
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-3-methyl-2-methylideneimidazolidin-4-one
CID 90759632
5-[(4-chlorophenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one
CID 91514814
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one
CID 91203931
(3E,6E)-3,6-dibenzylidenepiperazine-2,5-dione
CID 6992142
(5E)-5-[(4-methoxy-3-methylphenyl)methylidene]-2-methylidene-1-phenyl-1,3-diazinane-4,6-dione
CID 90145488
4-[(Z)-(1-methyl-2-methylidene-5-oxoimidazolidin-4-ylidene)methyl]benzonitrile
CID 91470172
(5Z)-5-[(2-methoxyphenyl)methylidene]-3-methyl-2-methylideneimidazolidin-4-one
CID 90965007
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
3-benzylidene-6-propylidenepiperazine-2,5-dione
CID 3866178
3,4-dibenzylidene-1-methylpyrrolidine-2,5-dione
CID 54410030

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-1-methyl-2-methylidene-1,3-diazinane-4,6-dione?
The IUPAC name of (5Z)-5-benzylidene-1-methyl-2-methylidene-1,3-diazinane-4,6-dione (CID 143386373) is (5Z)-5-benzylidene-1-methyl-2-methylidene-1,3-diazinane-4,6-dione.
What is the SMILES notation for (5Z)-5-benzylidene-1-methyl-2-methylidene-1,3-diazinane-4,6-dione?
The canonical SMILES for (5Z)-5-benzylidene-1-methyl-2-methylidene-1,3-diazinane-4,6-dione is C=c1[nH]c(=O)/c(=C/c2ccccc2)c(=O)n1C.
What is the InChIKey of (5Z)-5-benzylidene-1-methyl-2-methylidene-1,3-diazinane-4,6-dione?
The InChIKey is CEAIQARWMACCHM-FLIBITNWSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-9-14-12(16)11(13(17)15(9)2)8-10-6-4-3-5-7-10/h3-8H,1H2,2H3,(H,14,16)/b11-8-.
What are the key properties of (5Z)-5-benzylidene-1-methyl-2-methylidene-1,3-diazinane-4,6-dione?
(5Z)-5-benzylidene-1-methyl-2-methylidene-1,3-diazinane-4,6-dione has a molecular weight of 228.25 g/mol, XLogP of -0.69, 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-methylidene-1,3-diazinane-4,6-dione is sourced from PubChem (CID 143386373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).