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

C17H16N2O2 — CID 135021913

IUPAC4,7,9-trimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione
SMILESCC1=CC2(C=C(C)C1=O)N=C(c1ccccc1)C(=O)N2C
InChIInChI=1S/C17H16N2O2/c1-11-9-17(10-12(2)15(11)20)18-14(16(21)19(17)3)13-7-5-4-6-8-13/h4-10H,1-3H3
InChIKeyBAOOVMCUSXYXIS-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.12
Rot. Bonds1

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

4,7,9-trimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione (PubChem CID 135021913) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4,7,9-trimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione.

Molecular Properties

Compound Name4,7,9-trimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione
PubChem CID135021913
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4,7,9-trimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione
SMILESCC1=CC2(C=C(C)C1=O)N=C(c1ccccc1)C(=O)N2C
InChIInChI=1S/C17H16N2O2/c1-11-9-17(10-12(2)15(11)20)18-14(16(21)19(17)3)13-7-5-4-6-8-13/h4-10H,1-3H3
InChIKeyBAOOVMCUSXYXIS-UHFFFAOYSA-N
XLogP2.12
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7,9-trimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione?
The IUPAC name of 4,7,9-trimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione (CID 135021913) is 4,7,9-trimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione.
What is the SMILES notation for 4,7,9-trimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione?
The canonical SMILES for 4,7,9-trimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione is CC1=CC2(C=C(C)C1=O)N=C(c1ccccc1)C(=O)N2C.
What is the InChIKey of 4,7,9-trimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione?
The InChIKey is BAOOVMCUSXYXIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11-9-17(10-12(2)15(11)20)18-14(16(21)19(17)3)13-7-5-4-6-8-13/h4-10H,1-3H3.
What are the key properties of 4,7,9-trimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione?
4,7,9-trimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione has a molecular weight of 280.33 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7,9-trimethyl-2-phenyl-1,4-diazaspiro[4.5]deca-1,6,9-triene-3,8-dione is sourced from PubChem (CID 135021913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).