6-phenyl-4,7-diazaspiro[2.5]octane-5,8-dione

C12H12N2O2 — CID 121207256

IUPAC6-phenyl-4,7-diazaspiro[2.5]octane-5,8-dione
SMILESO=C1NC2(CC2)C(=O)NC1c1ccccc1
InChIInChI=1S/C12H12N2O2/c15-10-9(8-4-2-1-3-5-8)13-11(16)12(14-10)6-7-12/h1-5,9H,6-7H2,(H,13,16)(H,14,15)
InChIKeyJCFDZKZEQRRSHK-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.51
Rot. Bonds1

About 6-phenyl-4,7-diazaspiro[2.5]octane-5,8-dione

6-phenyl-4,7-diazaspiro[2.5]octane-5,8-dione (PubChem CID 121207256) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 6-phenyl-4,7-diazaspiro[2.5]octane-5,8-dione.

Molecular Properties

Compound Name6-phenyl-4,7-diazaspiro[2.5]octane-5,8-dione
PubChem CID121207256
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name6-phenyl-4,7-diazaspiro[2.5]octane-5,8-dione
SMILESO=C1NC2(CC2)C(=O)NC1c1ccccc1
InChIInChI=1S/C12H12N2O2/c15-10-9(8-4-2-1-3-5-8)13-11(16)12(14-10)6-7-12/h1-5,9H,6-7H2,(H,13,16)(H,14,15)
InChIKeyJCFDZKZEQRRSHK-UHFFFAOYSA-N
XLogP0.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4,7-diazaspiro[2.5]octane-5,8-dione?
The IUPAC name of 6-phenyl-4,7-diazaspiro[2.5]octane-5,8-dione (CID 121207256) is 6-phenyl-4,7-diazaspiro[2.5]octane-5,8-dione.
What is the SMILES notation for 6-phenyl-4,7-diazaspiro[2.5]octane-5,8-dione?
The canonical SMILES for 6-phenyl-4,7-diazaspiro[2.5]octane-5,8-dione is O=C1NC2(CC2)C(=O)NC1c1ccccc1.
What is the InChIKey of 6-phenyl-4,7-diazaspiro[2.5]octane-5,8-dione?
The InChIKey is JCFDZKZEQRRSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c15-10-9(8-4-2-1-3-5-8)13-11(16)12(14-10)6-7-12/h1-5,9H,6-7H2,(H,13,16)(H,14,15).
What are the key properties of 6-phenyl-4,7-diazaspiro[2.5]octane-5,8-dione?
6-phenyl-4,7-diazaspiro[2.5]octane-5,8-dione has a molecular weight of 216.24 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4,7-diazaspiro[2.5]octane-5,8-dione is sourced from PubChem (CID 121207256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).