7-methoxy-2-azoniaspiro[3.5]nonane

C9H18NO+ — CID 156729271

IUPAC7-methoxy-2-azoniaspiro[3.5]nonane
SMILESCOC1CCC2(CC1)C[NH2+]C2
InChIInChI=1S/C9H17NO/c1-11-8-2-4-9(5-3-8)6-10-7-9/h8,10H,2-7H2,1H3/p+1
InChIKeyWCKAEBVOTQBAGQ-UHFFFAOYSA-O
MW156.25 g/mol
LogP0.14
Rot. Bonds1

About 7-methoxy-2-azoniaspiro[3.5]nonane

7-methoxy-2-azoniaspiro[3.5]nonane (PubChem CID 156729271) has the molecular formula C9H18NO+ and a molecular weight of 156.25 g/mol. Its IUPAC name is 7-methoxy-2-azoniaspiro[3.5]nonane.

Molecular Properties

Compound Name7-methoxy-2-azoniaspiro[3.5]nonane
PubChem CID156729271
Molecular FormulaC9H18NO+
Molecular Weight156.25 g/mol
Exact Mass156.14
IUPAC Name7-methoxy-2-azoniaspiro[3.5]nonane
SMILESCOC1CCC2(CC1)C[NH2+]C2
InChIInChI=1S/C9H17NO/c1-11-8-2-4-9(5-3-8)6-10-7-9/h8,10H,2-7H2,1H3/p+1
InChIKeyWCKAEBVOTQBAGQ-UHFFFAOYSA-O
XLogP0.14
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-azoniaspiro[3.5]nonane?
The IUPAC name of 7-methoxy-2-azoniaspiro[3.5]nonane (CID 156729271) is 7-methoxy-2-azoniaspiro[3.5]nonane.
What is the SMILES notation for 7-methoxy-2-azoniaspiro[3.5]nonane?
The canonical SMILES for 7-methoxy-2-azoniaspiro[3.5]nonane is COC1CCC2(CC1)C[NH2+]C2.
What is the InChIKey of 7-methoxy-2-azoniaspiro[3.5]nonane?
The InChIKey is WCKAEBVOTQBAGQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H17NO/c1-11-8-2-4-9(5-3-8)6-10-7-9/h8,10H,2-7H2,1H3/p+1.
What are the key properties of 7-methoxy-2-azoniaspiro[3.5]nonane?
7-methoxy-2-azoniaspiro[3.5]nonane has a molecular weight of 156.25 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-azoniaspiro[3.5]nonane is sourced from PubChem (CID 156729271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).