2-pyridin-2-yl-2-azaspiro[4.4]nonane-1,3-dione

C13H14N2O2 — CID 11957948

IUPAC2-pyridin-2-yl-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1c1ccccn1
InChIInChI=1S/C13H14N2O2/c16-11-9-13(6-2-3-7-13)12(17)15(11)10-5-1-4-8-14-10/h1,4-5,8H,2-3,6-7,9H2
InChIKeyQRTARKUXASUNEZ-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.91
Rot. Bonds1

About 2-pyridin-2-yl-2-azaspiro[4.4]nonane-1,3-dione

2-pyridin-2-yl-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 11957948) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-pyridin-2-yl-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-pyridin-2-yl-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID11957948
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-pyridin-2-yl-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1c1ccccn1
InChIInChI=1S/C13H14N2O2/c16-11-9-13(6-2-3-7-13)12(17)15(11)10-5-1-4-8-14-10/h1,4-5,8H,2-3,6-7,9H2
InChIKeyQRTARKUXASUNEZ-UHFFFAOYSA-N
XLogP1.91
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-pyridin-2-yl-2-azaspiro[4.4]nonane-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-pyridin-2-yl-2-azaspiro[4.4]nonane-1,3-dione (CID 11957948) is 2-pyridin-2-yl-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-pyridin-2-yl-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-pyridin-2-yl-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1c1ccccn1.
What is the InChIKey of 2-pyridin-2-yl-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is QRTARKUXASUNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-11-9-13(6-2-3-7-13)12(17)15(11)10-5-1-4-8-14-10/h1,4-5,8H,2-3,6-7,9H2.
What are the key properties of 2-pyridin-2-yl-2-azaspiro[4.4]nonane-1,3-dione?
2-pyridin-2-yl-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 230.27 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 11957948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).