5-(6-nitro-3-pyridinyl)-5-azaspiro[2.4]heptane

C11H13N3O2 — CID 118348190

IUPAC5-(6-nitro-3-pyridinyl)-5-azaspiro[2.4]heptane
SMILESO=[N+]([O-])c1ccc(N2CCC3(CC3)C2)cn1
InChIInChI=1S/C11H13N3O2/c15-14(16)10-2-1-9(7-12-10)13-6-5-11(8-13)3-4-11/h1-2,7H,3-6,8H2
InChIKeyTXUWHQWATWAUBT-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.98
Rot. Bonds2

About 5-(6-nitro-3-pyridinyl)-5-azaspiro[2.4]heptane

5-(6-nitro-3-pyridinyl)-5-azaspiro[2.4]heptane (PubChem CID 118348190) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-(6-nitro-3-pyridinyl)-5-azaspiro[2.4]heptane.

Molecular Properties

Compound Name5-(6-nitro-3-pyridinyl)-5-azaspiro[2.4]heptane
PubChem CID118348190
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-(6-nitro-3-pyridinyl)-5-azaspiro[2.4]heptane
SMILESO=[N+]([O-])c1ccc(N2CCC3(CC3)C2)cn1
InChIInChI=1S/C11H13N3O2/c15-14(16)10-2-1-9(7-12-10)13-6-5-11(8-13)3-4-11/h1-2,7H,3-6,8H2
InChIKeyTXUWHQWATWAUBT-UHFFFAOYSA-N
XLogP1.98
TPSA59.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-nitro-3-pyridinyl)-5-azaspiro[2.4]heptane?
The IUPAC name of 5-(6-nitro-3-pyridinyl)-5-azaspiro[2.4]heptane (CID 118348190) is 5-(6-nitro-3-pyridinyl)-5-azaspiro[2.4]heptane.
What is the SMILES notation for 5-(6-nitro-3-pyridinyl)-5-azaspiro[2.4]heptane?
The canonical SMILES for 5-(6-nitro-3-pyridinyl)-5-azaspiro[2.4]heptane is O=[N+]([O-])c1ccc(N2CCC3(CC3)C2)cn1.
What is the InChIKey of 5-(6-nitro-3-pyridinyl)-5-azaspiro[2.4]heptane?
The InChIKey is TXUWHQWATWAUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-14(16)10-2-1-9(7-12-10)13-6-5-11(8-13)3-4-11/h1-2,7H,3-6,8H2.
What are the key properties of 5-(6-nitro-3-pyridinyl)-5-azaspiro[2.4]heptane?
5-(6-nitro-3-pyridinyl)-5-azaspiro[2.4]heptane has a molecular weight of 219.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-nitro-3-pyridinyl)-5-azaspiro[2.4]heptane is sourced from PubChem (CID 118348190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).