4-methyl-1,2-diphenyldiazinane-3,6-dione

C17H16N2O2 — CID 117066425

IUPAC4-methyl-1,2-diphenyldiazinane-3,6-dione
SMILESCC1CC(=O)N(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C17H16N2O2/c1-13-12-16(20)18(14-8-4-2-5-9-14)19(17(13)21)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChIKeyQVCQWARINJXXIC-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.01
Rot. Bonds2

About 4-methyl-1,2-diphenyldiazinane-3,6-dione

4-methyl-1,2-diphenyldiazinane-3,6-dione (PubChem CID 117066425) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-methyl-1,2-diphenyldiazinane-3,6-dione.

Molecular Properties

Compound Name4-methyl-1,2-diphenyldiazinane-3,6-dione
PubChem CID117066425
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-methyl-1,2-diphenyldiazinane-3,6-dione
SMILESCC1CC(=O)N(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C17H16N2O2/c1-13-12-16(20)18(14-8-4-2-5-9-14)19(17(13)21)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3
InChIKeyQVCQWARINJXXIC-UHFFFAOYSA-N
XLogP3.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-dimethoxyphosphoryl-1,2-diphenyldiazinane-3,6-dione
CID 170912943
ethane;2-methyl-2-methylsulfanylpropane;3-methyl-1-phenylpyrrolidine-2,5-dione
CID 145169692
4-amino-1,2-diphenylpyrazolidine-3,5-dione
CID 162789664
1,2-diphenyl-4-propan-2-ylpyrazolidine-3,5-dione
CID 602962
4-[(2-methylcyclopropyl)methyl]-1,2-diphenylpyrazolidine-3,5-dione
CID 12704414
1-(3-chlorophenyl)-3-methylpyrrolidine-2,5-dione
CID 71519662
3-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoic acid
CID 7026148
1-(3-hydroxyphenyl)-3-methylpyrrolidine-2,5-dione
CID 61037815
1-(3-bromophenyl)-3-methylpyrrolidine-2,5-dione
CID 61036556
(2R,3R)-2-methyl-5-oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 124510271
2-[3-(3-methyl-2,5-dioxopyrrolidin-1-yl)phenyl]acetic acid
CID 65345446
2,4-dimethyl-1-phenylpyrazolidin-3-one
CID 19777787

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2-diphenyldiazinane-3,6-dione?
The IUPAC name of 4-methyl-1,2-diphenyldiazinane-3,6-dione (CID 117066425) is 4-methyl-1,2-diphenyldiazinane-3,6-dione.
What is the SMILES notation for 4-methyl-1,2-diphenyldiazinane-3,6-dione?
The canonical SMILES for 4-methyl-1,2-diphenyldiazinane-3,6-dione is CC1CC(=O)N(c2ccccc2)N(c2ccccc2)C1=O.
What is the InChIKey of 4-methyl-1,2-diphenyldiazinane-3,6-dione?
The InChIKey is QVCQWARINJXXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-13-12-16(20)18(14-8-4-2-5-9-14)19(17(13)21)15-10-6-3-7-11-15/h2-11,13H,12H2,1H3.
What are the key properties of 4-methyl-1,2-diphenyldiazinane-3,6-dione?
4-methyl-1,2-diphenyldiazinane-3,6-dione has a molecular weight of 280.33 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2-diphenyldiazinane-3,6-dione is sourced from PubChem (CID 117066425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).