5,6-diphenyl-5,6-diazaspiro[2.4]heptane-4,7-dione

C17H14N2O2 — CID 171843834

IUPAC5,6-diphenyl-5,6-diazaspiro[2.4]heptane-4,7-dione
SMILESO=C1N(c2ccccc2)N(c2ccccc2)C(=O)C12CC2
InChIInChI=1S/C17H14N2O2/c20-15-17(11-12-17)16(21)19(14-9-5-2-6-10-14)18(15)13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyZZJPNQUGYYPFDD-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.76
Rot. Bonds2

About 5,6-diphenyl-5,6-diazaspiro[2.4]heptane-4,7-dione

5,6-diphenyl-5,6-diazaspiro[2.4]heptane-4,7-dione (PubChem CID 171843834) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5,6-diphenyl-5,6-diazaspiro[2.4]heptane-4,7-dione.

Molecular Properties

Compound Name5,6-diphenyl-5,6-diazaspiro[2.4]heptane-4,7-dione
PubChem CID171843834
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name5,6-diphenyl-5,6-diazaspiro[2.4]heptane-4,7-dione
SMILESO=C1N(c2ccccc2)N(c2ccccc2)C(=O)C12CC2
InChIInChI=1S/C17H14N2O2/c20-15-17(11-12-17)16(21)19(14-9-5-2-6-10-14)18(15)13-7-3-1-4-8-13/h1-10H,11-12H2
InChIKeyZZJPNQUGYYPFDD-UHFFFAOYSA-N
XLogP2.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-diphenyl-5,6-diazaspiro[2.4]heptane-4,7-dione?
The IUPAC name of 5,6-diphenyl-5,6-diazaspiro[2.4]heptane-4,7-dione (CID 171843834) is 5,6-diphenyl-5,6-diazaspiro[2.4]heptane-4,7-dione.
What is the SMILES notation for 5,6-diphenyl-5,6-diazaspiro[2.4]heptane-4,7-dione?
The canonical SMILES for 5,6-diphenyl-5,6-diazaspiro[2.4]heptane-4,7-dione is O=C1N(c2ccccc2)N(c2ccccc2)C(=O)C12CC2.
What is the InChIKey of 5,6-diphenyl-5,6-diazaspiro[2.4]heptane-4,7-dione?
The InChIKey is ZZJPNQUGYYPFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-15-17(11-12-17)16(21)19(14-9-5-2-6-10-14)18(15)13-7-3-1-4-8-13/h1-10H,11-12H2.
What are the key properties of 5,6-diphenyl-5,6-diazaspiro[2.4]heptane-4,7-dione?
5,6-diphenyl-5,6-diazaspiro[2.4]heptane-4,7-dione has a molecular weight of 278.31 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diphenyl-5,6-diazaspiro[2.4]heptane-4,7-dione is sourced from PubChem (CID 171843834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).