4,8-dimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,7,9-triene-3,6-dione

C16H14N2O2 — CID 135021684

IUPAC4,8-dimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,7,9-triene-3,6-dione
SMILESCC1=CC(=O)C2(C=C1)N=C(c1ccccc1)C(=O)N2C
InChIInChI=1S/C16H14N2O2/c1-11-8-9-16(13(19)10-11)17-14(15(20)18(16)2)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyOKNIDGBIPPPGBS-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.73
Rot. Bonds1

About 4,8-dimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,7,9-triene-3,6-dione

4,8-dimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,7,9-triene-3,6-dione (PubChem CID 135021684) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4,8-dimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,7,9-triene-3,6-dione.

Molecular Properties

Compound Name4,8-dimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,7,9-triene-3,6-dione
PubChem CID135021684
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name4,8-dimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,7,9-triene-3,6-dione
SMILESCC1=CC(=O)C2(C=C1)N=C(c1ccccc1)C(=O)N2C
InChIInChI=1S/C16H14N2O2/c1-11-8-9-16(13(19)10-11)17-14(15(20)18(16)2)12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyOKNIDGBIPPPGBS-UHFFFAOYSA-N
XLogP1.73
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,7,9-triene-3,6-dione?
The IUPAC name of 4,8-dimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,7,9-triene-3,6-dione (CID 135021684) is 4,8-dimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,7,9-triene-3,6-dione.
What is the SMILES notation for 4,8-dimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,7,9-triene-3,6-dione?
The canonical SMILES for 4,8-dimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,7,9-triene-3,6-dione is CC1=CC(=O)C2(C=C1)N=C(c1ccccc1)C(=O)N2C.
What is the InChIKey of 4,8-dimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,7,9-triene-3,6-dione?
The InChIKey is OKNIDGBIPPPGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-11-8-9-16(13(19)10-11)17-14(15(20)18(16)2)12-6-4-3-5-7-12/h3-10H,1-2H3.
What are the key properties of 4,8-dimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,7,9-triene-3,6-dione?
4,8-dimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,7,9-triene-3,6-dione has a molecular weight of 266.30 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,7,9-triene-3,6-dione is sourced from PubChem (CID 135021684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).