6-azoniaspiro[3.4]octane

C7H14N+ — CID 51776807

IUPAC6-azoniaspiro[3.4]octane
SMILESC1CC2(C1)CC[NH2+]C2
InChIInChI=1S/C7H13N/c1-2-7(3-1)4-5-8-6-7/h8H,1-6H2/p+1
InChIKeyNVZWMJWMTWOVNJ-UHFFFAOYSA-O
MW112.20 g/mol
LogP0.12
Rot. Bonds

About 6-azoniaspiro[3.4]octane

6-azoniaspiro[3.4]octane (PubChem CID 51776807) has the molecular formula C7H14N+ and a molecular weight of 112.20 g/mol. Its IUPAC name is 6-azoniaspiro[3.4]octane.

Molecular Properties

Compound Name6-azoniaspiro[3.4]octane
PubChem CID51776807
Molecular FormulaC7H14N+
Molecular Weight112.20 g/mol
Exact Mass112.11
IUPAC Name6-azoniaspiro[3.4]octane
SMILESC1CC2(C1)CC[NH2+]C2
InChIInChI=1S/C7H13N/c1-2-7(3-1)4-5-8-6-7/h8H,1-6H2/p+1
InChIKeyNVZWMJWMTWOVNJ-UHFFFAOYSA-O
XLogP0.12
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-azoniaspiro[3.4]octane?
The IUPAC name of 6-azoniaspiro[3.4]octane (CID 51776807) is 6-azoniaspiro[3.4]octane.
What is the SMILES notation for 6-azoniaspiro[3.4]octane?
The canonical SMILES for 6-azoniaspiro[3.4]octane is C1CC2(C1)CC[NH2+]C2.
What is the InChIKey of 6-azoniaspiro[3.4]octane?
The InChIKey is NVZWMJWMTWOVNJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13N/c1-2-7(3-1)4-5-8-6-7/h8H,1-6H2/p+1.
What are the key properties of 6-azoniaspiro[3.4]octane?
6-azoniaspiro[3.4]octane has a molecular weight of 112.20 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azoniaspiro[3.4]octane is sourced from PubChem (CID 51776807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).