10-oxido-10-azoniatricyclo[5.2.1.04,10]decane

C9H15NO — CID 15249741

IUPAC10-oxido-10-azoniatricyclo[5.2.1.04,10]decane
SMILES[O-][N+]12C3CCC1CCC2CC3
InChIInChI=1S/C9H15NO/c11-10-7-1-2-8(10)5-6-9(10)4-3-7/h7-9H,1-6H2
InChIKeyYZJDUVGICGDPBJ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.79
Rot. Bonds

About 10-oxido-10-azoniatricyclo[5.2.1.04,10]decane

10-oxido-10-azoniatricyclo[5.2.1.04,10]decane (PubChem CID 15249741) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 10-oxido-10-azoniatricyclo[5.2.1.04,10]decane.

Molecular Properties

Compound Name10-oxido-10-azoniatricyclo[5.2.1.04,10]decane
PubChem CID15249741
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name10-oxido-10-azoniatricyclo[5.2.1.04,10]decane
SMILES[O-][N+]12C3CCC1CCC2CC3
InChIInChI=1S/C9H15NO/c11-10-7-1-2-8(10)5-6-9(10)4-3-7/h7-9H,1-6H2
InChIKeyYZJDUVGICGDPBJ-UHFFFAOYSA-N
XLogP1.79
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-oxido-10-azoniatricyclo[5.2.1.04,10]decane?
The IUPAC name of 10-oxido-10-azoniatricyclo[5.2.1.04,10]decane (CID 15249741) is 10-oxido-10-azoniatricyclo[5.2.1.04,10]decane.
What is the SMILES notation for 10-oxido-10-azoniatricyclo[5.2.1.04,10]decane?
The canonical SMILES for 10-oxido-10-azoniatricyclo[5.2.1.04,10]decane is [O-][N+]12C3CCC1CCC2CC3.
What is the InChIKey of 10-oxido-10-azoniatricyclo[5.2.1.04,10]decane?
The InChIKey is YZJDUVGICGDPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c11-10-7-1-2-8(10)5-6-9(10)4-3-7/h7-9H,1-6H2.
What are the key properties of 10-oxido-10-azoniatricyclo[5.2.1.04,10]decane?
10-oxido-10-azoniatricyclo[5.2.1.04,10]decane has a molecular weight of 153.22 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-oxido-10-azoniatricyclo[5.2.1.04,10]decane is sourced from PubChem (CID 15249741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).