2-methoxy-7-azaspiro[3.5]nonane-6,8-dione

C9H13NO3 — CID 106824145

IUPAC2-methoxy-7-azaspiro[3.5]nonane-6,8-dione
SMILESCOC1CC2(CC(=O)NC(=O)C2)C1
InChIInChI=1S/C9H13NO3/c1-13-6-2-9(3-6)4-7(11)10-8(12)5-9/h6H,2-5H2,1H3,(H,10,11,12)
InChIKeyLOPWKIWAYXLQKM-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.22
Rot. Bonds1

About 2-methoxy-7-azaspiro[3.5]nonane-6,8-dione

2-methoxy-7-azaspiro[3.5]nonane-6,8-dione (PubChem CID 106824145) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-methoxy-7-azaspiro[3.5]nonane-6,8-dione.

Molecular Properties

Compound Name2-methoxy-7-azaspiro[3.5]nonane-6,8-dione
PubChem CID106824145
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name2-methoxy-7-azaspiro[3.5]nonane-6,8-dione
SMILESCOC1CC2(CC(=O)NC(=O)C2)C1
InChIInChI=1S/C9H13NO3/c1-13-6-2-9(3-6)4-7(11)10-8(12)5-9/h6H,2-5H2,1H3,(H,10,11,12)
InChIKeyLOPWKIWAYXLQKM-UHFFFAOYSA-N
XLogP0.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7-azaspiro[3.5]nonane-6,8-dione?
The IUPAC name of 2-methoxy-7-azaspiro[3.5]nonane-6,8-dione (CID 106824145) is 2-methoxy-7-azaspiro[3.5]nonane-6,8-dione.
What is the SMILES notation for 2-methoxy-7-azaspiro[3.5]nonane-6,8-dione?
The canonical SMILES for 2-methoxy-7-azaspiro[3.5]nonane-6,8-dione is COC1CC2(CC(=O)NC(=O)C2)C1.
What is the InChIKey of 2-methoxy-7-azaspiro[3.5]nonane-6,8-dione?
The InChIKey is LOPWKIWAYXLQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-13-6-2-9(3-6)4-7(11)10-8(12)5-9/h6H,2-5H2,1H3,(H,10,11,12).
What are the key properties of 2-methoxy-7-azaspiro[3.5]nonane-6,8-dione?
2-methoxy-7-azaspiro[3.5]nonane-6,8-dione has a molecular weight of 183.21 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-azaspiro[3.5]nonane-6,8-dione is sourced from PubChem (CID 106824145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).