8-(4-aminophenyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione

C14H15N3O2 — CID 79501267

IUPAC8-(4-aminophenyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione
SMILESNc1ccc(C2=NC(=O)C3(CCCC3)C(=O)N2)cc1
InChIInChI=1S/C14H15N3O2/c15-10-5-3-9(4-6-10)11-16-12(18)14(13(19)17-11)7-1-2-8-14/h3-6H,1-2,7-8,15H2,(H,16,17,18,19)
InChIKeyJMWOTVMAGWGUBT-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.23
Rot. Bonds1

About 8-(4-aminophenyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione

8-(4-aminophenyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione (PubChem CID 79501267) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 8-(4-aminophenyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione.

Molecular Properties

Compound Name8-(4-aminophenyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione
PubChem CID79501267
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name8-(4-aminophenyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione
SMILESNc1ccc(C2=NC(=O)C3(CCCC3)C(=O)N2)cc1
InChIInChI=1S/C14H15N3O2/c15-10-5-3-9(4-6-10)11-16-12(18)14(13(19)17-11)7-1-2-8-14/h3-6H,1-2,7-8,15H2,(H,16,17,18,19)
InChIKeyJMWOTVMAGWGUBT-UHFFFAOYSA-N
XLogP1.23
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(4-aminophenyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione?
The IUPAC name of 8-(4-aminophenyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione (CID 79501267) is 8-(4-aminophenyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione.
What is the SMILES notation for 8-(4-aminophenyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione?
The canonical SMILES for 8-(4-aminophenyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione is Nc1ccc(C2=NC(=O)C3(CCCC3)C(=O)N2)cc1.
What is the InChIKey of 8-(4-aminophenyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione?
The InChIKey is JMWOTVMAGWGUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c15-10-5-3-9(4-6-10)11-16-12(18)14(13(19)17-11)7-1-2-8-14/h3-6H,1-2,7-8,15H2,(H,16,17,18,19).
What are the key properties of 8-(4-aminophenyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione?
8-(4-aminophenyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione has a molecular weight of 257.29 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-aminophenyl)-7,9-diazaspiro[4.5]dec-8-ene-6,10-dione is sourced from PubChem (CID 79501267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).