8-(4-amino-1,3-dioxoinden-2-yl)-6-azaspiro[2.5]octane-5,7-dione

C16H14N2O4 — CID 138467250

IUPAC8-(4-amino-1,3-dioxoinden-2-yl)-6-azaspiro[2.5]octane-5,7-dione
SMILESNc1cccc2c1C(=O)C(C1C(=O)NC(=O)CC13CC3)C2=O
InChIInChI=1S/C16H14N2O4/c17-8-3-1-2-7-10(8)14(21)11(13(7)20)12-15(22)18-9(19)6-16(12)4-5-16/h1-3,11-12H,4-6,17H2,(H,18,19,22)
InChIKeyIDOQZSBJIPAGKO-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.71
Rot. Bonds1

About 8-(4-amino-1,3-dioxoinden-2-yl)-6-azaspiro[2.5]octane-5,7-dione

8-(4-amino-1,3-dioxoinden-2-yl)-6-azaspiro[2.5]octane-5,7-dione (PubChem CID 138467250) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 8-(4-amino-1,3-dioxoinden-2-yl)-6-azaspiro[2.5]octane-5,7-dione.

Molecular Properties

Compound Name8-(4-amino-1,3-dioxoinden-2-yl)-6-azaspiro[2.5]octane-5,7-dione
PubChem CID138467250
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name8-(4-amino-1,3-dioxoinden-2-yl)-6-azaspiro[2.5]octane-5,7-dione
SMILESNc1cccc2c1C(=O)C(C1C(=O)NC(=O)CC13CC3)C2=O
InChIInChI=1S/C16H14N2O4/c17-8-3-1-2-7-10(8)14(21)11(13(7)20)12-15(22)18-9(19)6-16(12)4-5-16/h1-3,11-12H,4-6,17H2,(H,18,19,22)
InChIKeyIDOQZSBJIPAGKO-UHFFFAOYSA-N
XLogP0.71
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(4-amino-1,3-dioxoinden-2-yl)-6-azaspiro[2.5]octane-5,7-dione?
The IUPAC name of 8-(4-amino-1,3-dioxoinden-2-yl)-6-azaspiro[2.5]octane-5,7-dione (CID 138467250) is 8-(4-amino-1,3-dioxoinden-2-yl)-6-azaspiro[2.5]octane-5,7-dione.
What is the SMILES notation for 8-(4-amino-1,3-dioxoinden-2-yl)-6-azaspiro[2.5]octane-5,7-dione?
The canonical SMILES for 8-(4-amino-1,3-dioxoinden-2-yl)-6-azaspiro[2.5]octane-5,7-dione is Nc1cccc2c1C(=O)C(C1C(=O)NC(=O)CC13CC3)C2=O.
What is the InChIKey of 8-(4-amino-1,3-dioxoinden-2-yl)-6-azaspiro[2.5]octane-5,7-dione?
The InChIKey is IDOQZSBJIPAGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c17-8-3-1-2-7-10(8)14(21)11(13(7)20)12-15(22)18-9(19)6-16(12)4-5-16/h1-3,11-12H,4-6,17H2,(H,18,19,22).
What are the key properties of 8-(4-amino-1,3-dioxoinden-2-yl)-6-azaspiro[2.5]octane-5,7-dione?
8-(4-amino-1,3-dioxoinden-2-yl)-6-azaspiro[2.5]octane-5,7-dione has a molecular weight of 298.30 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-amino-1,3-dioxoinden-2-yl)-6-azaspiro[2.5]octane-5,7-dione is sourced from PubChem (CID 138467250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).