1,3'-dimethyl-2'-phenylspiro[1,3-diazinane-5,1'-indene]-2,4,6-trione

C20H16N2O3 — CID 132558118

IUPAC1,3'-dimethyl-2'-phenylspiro[1,3-diazinane-5,1'-indene]-2,4,6-trione
SMILESCC1=C(c2ccccc2)C2(C(=O)NC(=O)N(C)C2=O)c2ccccc21
InChIInChI=1S/C20H16N2O3/c1-12-14-10-6-7-11-15(14)20(16(12)13-8-4-3-5-9-13)17(23)21-19(25)22(2)18(20)24/h3-11H,1-2H3,(H,21,23,25)
InChIKeyDZQGOPHEIXZVCE-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.58
Rot. Bonds1

About 1,3'-dimethyl-2'-phenylspiro[1,3-diazinane-5,1'-indene]-2,4,6-trione

1,3'-dimethyl-2'-phenylspiro[1,3-diazinane-5,1'-indene]-2,4,6-trione (PubChem CID 132558118) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 1,3'-dimethyl-2'-phenylspiro[1,3-diazinane-5,1'-indene]-2,4,6-trione.

Molecular Properties

Compound Name1,3'-dimethyl-2'-phenylspiro[1,3-diazinane-5,1'-indene]-2,4,6-trione
PubChem CID132558118
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name1,3'-dimethyl-2'-phenylspiro[1,3-diazinane-5,1'-indene]-2,4,6-trione
SMILESCC1=C(c2ccccc2)C2(C(=O)NC(=O)N(C)C2=O)c2ccccc21
InChIInChI=1S/C20H16N2O3/c1-12-14-10-6-7-11-15(14)20(16(12)13-8-4-3-5-9-13)17(23)21-19(25)22(2)18(20)24/h3-11H,1-2H3,(H,21,23,25)
InChIKeyDZQGOPHEIXZVCE-UHFFFAOYSA-N
XLogP2.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-phenylspiro[indene-1,1'-naphthalene]-2'-one
CID 132540245
2-methyl-5-[9-(2-methyl-1,3-dioxoisoindol-5-yl)fluoren-9-yl]isoindole-1,3-dione
CID 90139758
1,4,4-trimethyl-2,6-diphenylpyridine-3,5-dicarbonitrile
CID 628258
(1R)-5'-methyl-2,3-diphenyl-1,2'-spirobi[indene]-1',3'-dione
CID 164682129
1'-methyl-2-(4-methylphenyl)spiro[2-azapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),3(11),4,6,8,15,17,19-octaene-12,3'-indole]-2',10,14-trione
CID 101495322
benzene;2,6-dimethyl-2,6-diazaspiro[3.3]heptane-1,3,5,7-tetrone;ethane
CID 90917596
2-methyl-6'-phenylspiro[isoquinoline-4,4'-naphthalene]-1,1',3-trione
CID 170551604
(1S)-2'-cyclohexyl-5'-methyl-2,3-diphenylspiro[indene-1,4'-pyrazole]-3'-one
CID 134958403
5-(1-hydroxyethyl)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
CID 528903
(1S,5S,7S)-5-methoxy-1,2'-dimethyl-3-phenylspiro[4,6-dioxa-2-azabicyclo[3.2.0]hept-2-ene-7,4'-isoquinoline]-1',3'-dione
CID 71813808
3,3-bis(hydroxymethyl)-2-methylisoindol-1-one;ethane
CID 90770318
1,3,3-trimethyl-5-phenylpyrrol-2-one
CID 132938819

Frequently Asked Questions

What is the IUPAC name of 1,3'-dimethyl-2'-phenylspiro[1,3-diazinane-5,1'-indene]-2,4,6-trione?
The IUPAC name of 1,3'-dimethyl-2'-phenylspiro[1,3-diazinane-5,1'-indene]-2,4,6-trione (CID 132558118) is 1,3'-dimethyl-2'-phenylspiro[1,3-diazinane-5,1'-indene]-2,4,6-trione.
What is the SMILES notation for 1,3'-dimethyl-2'-phenylspiro[1,3-diazinane-5,1'-indene]-2,4,6-trione?
The canonical SMILES for 1,3'-dimethyl-2'-phenylspiro[1,3-diazinane-5,1'-indene]-2,4,6-trione is CC1=C(c2ccccc2)C2(C(=O)NC(=O)N(C)C2=O)c2ccccc21.
What is the InChIKey of 1,3'-dimethyl-2'-phenylspiro[1,3-diazinane-5,1'-indene]-2,4,6-trione?
The InChIKey is DZQGOPHEIXZVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c1-12-14-10-6-7-11-15(14)20(16(12)13-8-4-3-5-9-13)17(23)21-19(25)22(2)18(20)24/h3-11H,1-2H3,(H,21,23,25).
What are the key properties of 1,3'-dimethyl-2'-phenylspiro[1,3-diazinane-5,1'-indene]-2,4,6-trione?
1,3'-dimethyl-2'-phenylspiro[1,3-diazinane-5,1'-indene]-2,4,6-trione has a molecular weight of 332.36 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3'-dimethyl-2'-phenylspiro[1,3-diazinane-5,1'-indene]-2,4,6-trione is sourced from PubChem (CID 132558118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).