3-methoxyazonane-2,9-dione

C9H15NO3 — CID 54423619

IUPAC3-methoxyazonane-2,9-dione
SMILESCOC1CCCCCC(=O)NC1=O
InChIInChI=1S/C9H15NO3/c1-13-7-5-3-2-4-6-8(11)10-9(7)12/h7H,2-6H2,1H3,(H,10,11,12)
InChIKeyZIQDQPVUUOAUIQ-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.61
Rot. Bonds1

About 3-methoxyazonane-2,9-dione

3-methoxyazonane-2,9-dione (PubChem CID 54423619) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 3-methoxyazonane-2,9-dione.

Molecular Properties

Compound Name3-methoxyazonane-2,9-dione
PubChem CID54423619
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name3-methoxyazonane-2,9-dione
SMILESCOC1CCCCCC(=O)NC1=O
InChIInChI=1S/C9H15NO3/c1-13-7-5-3-2-4-6-8(11)10-9(7)12/h7H,2-6H2,1H3,(H,10,11,12)
InChIKeyZIQDQPVUUOAUIQ-UHFFFAOYSA-N
XLogP0.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.61
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 3-methoxyazonane-2,9-dione?
The IUPAC name of 3-methoxyazonane-2,9-dione (CID 54423619) is 3-methoxyazonane-2,9-dione.
What is the SMILES notation for 3-methoxyazonane-2,9-dione?
The canonical SMILES for 3-methoxyazonane-2,9-dione is COC1CCCCCC(=O)NC1=O.
What is the InChIKey of 3-methoxyazonane-2,9-dione?
The InChIKey is ZIQDQPVUUOAUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-13-7-5-3-2-4-6-8(11)10-9(7)12/h7H,2-6H2,1H3,(H,10,11,12).
What are the key properties of 3-methoxyazonane-2,9-dione?
3-methoxyazonane-2,9-dione has a molecular weight of 185.22 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyazonane-2,9-dione is sourced from PubChem (CID 54423619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).