1,6-dimethylazocane-2,5-dione

C9H15NO2 — CID 24976921

IUPAC1,6-dimethylazocane-2,5-dione
SMILESCC1CCN(C)C(=O)CCC1=O
InChIInChI=1S/C9H15NO2/c1-7-5-6-10(2)9(12)4-3-8(7)11/h7H,3-6H2,1-2H3
InChIKeyLIXBVUKWLWIBHK-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.83
Rot. Bonds

About 1,6-dimethylazocane-2,5-dione

1,6-dimethylazocane-2,5-dione (PubChem CID 24976921) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1,6-dimethylazocane-2,5-dione.

Molecular Properties

Compound Name1,6-dimethylazocane-2,5-dione
PubChem CID24976921
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1,6-dimethylazocane-2,5-dione
SMILESCC1CCN(C)C(=O)CCC1=O
InChIInChI=1S/C9H15NO2/c1-7-5-6-10(2)9(12)4-3-8(7)11/h7H,3-6H2,1-2H3
InChIKeyLIXBVUKWLWIBHK-UHFFFAOYSA-N
XLogP0.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylazocane-2,5-dione?
The IUPAC name of 1,6-dimethylazocane-2,5-dione (CID 24976921) is 1,6-dimethylazocane-2,5-dione.
What is the SMILES notation for 1,6-dimethylazocane-2,5-dione?
The canonical SMILES for 1,6-dimethylazocane-2,5-dione is CC1CCN(C)C(=O)CCC1=O.
What is the InChIKey of 1,6-dimethylazocane-2,5-dione?
The InChIKey is LIXBVUKWLWIBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7-5-6-10(2)9(12)4-3-8(7)11/h7H,3-6H2,1-2H3.
What are the key properties of 1,6-dimethylazocane-2,5-dione?
1,6-dimethylazocane-2,5-dione has a molecular weight of 169.22 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylazocane-2,5-dione is sourced from PubChem (CID 24976921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).