3-methylazonane-2,9-dione

C9H15NO2 — CID 175922762

IUPAC3-methylazonane-2,9-dione
SMILESCC1CCCCCC(=O)NC1=O
InChIInChI=1S/C9H15NO2/c1-7-5-3-2-4-6-8(11)10-9(7)12/h7H,2-6H2,1H3,(H,10,11,12)
InChIKeyBTCNNLLROVQVJT-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.23
Rot. Bonds

About 3-methylazonane-2,9-dione

3-methylazonane-2,9-dione (PubChem CID 175922762) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-methylazonane-2,9-dione.

Molecular Properties

Compound Name3-methylazonane-2,9-dione
PubChem CID175922762
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-methylazonane-2,9-dione
SMILESCC1CCCCCC(=O)NC1=O
InChIInChI=1S/C9H15NO2/c1-7-5-3-2-4-6-8(11)10-9(7)12/h7H,2-6H2,1H3,(H,10,11,12)
InChIKeyBTCNNLLROVQVJT-UHFFFAOYSA-N
XLogP1.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylazonane-2,9-dione?
The IUPAC name of 3-methylazonane-2,9-dione (CID 175922762) is 3-methylazonane-2,9-dione.
What is the SMILES notation for 3-methylazonane-2,9-dione?
The canonical SMILES for 3-methylazonane-2,9-dione is CC1CCCCCC(=O)NC1=O.
What is the InChIKey of 3-methylazonane-2,9-dione?
The InChIKey is BTCNNLLROVQVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7-5-3-2-4-6-8(11)10-9(7)12/h7H,2-6H2,1H3,(H,10,11,12).
What are the key properties of 3-methylazonane-2,9-dione?
3-methylazonane-2,9-dione has a molecular weight of 169.22 g/mol, XLogP of 1.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylazonane-2,9-dione is sourced from PubChem (CID 175922762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).