spiro[1,3-dioxolane-2,6'-3-azabicyclo[3.2.0]heptane]

C8H13NO2 — CID 71430725

IUPACspiro[1,3-dioxolane-2,6'-3-azabicyclo[3.2.0]heptane]
SMILESC1COC2(CC3CNCC32)O1
InChIInChI=1S/C8H13NO2/c1-2-11-8(10-1)3-6-4-9-5-7(6)8/h6-7,9H,1-5H2
InChIKeyMKOVFRZQXCZRDQ-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.03
Rot. Bonds

About spiro[1,3-dioxolane-2,6'-3-azabicyclo[3.2.0]heptane]

spiro[1,3-dioxolane-2,6'-3-azabicyclo[3.2.0]heptane] (PubChem CID 71430725) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,6'-3-azabicyclo[3.2.0]heptane].

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,6'-3-azabicyclo[3.2.0]heptane]
PubChem CID71430725
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namespiro[1,3-dioxolane-2,6'-3-azabicyclo[3.2.0]heptane]
SMILESC1COC2(CC3CNCC32)O1
InChIInChI=1S/C8H13NO2/c1-2-11-8(10-1)3-6-4-9-5-7(6)8/h6-7,9H,1-5H2
InChIKeyMKOVFRZQXCZRDQ-UHFFFAOYSA-N
XLogP-0.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,6'-3-azabicyclo[3.2.0]heptane]?
The IUPAC name of spiro[1,3-dioxolane-2,6'-3-azabicyclo[3.2.0]heptane] (CID 71430725) is spiro[1,3-dioxolane-2,6'-3-azabicyclo[3.2.0]heptane].
What is the SMILES notation for spiro[1,3-dioxolane-2,6'-3-azabicyclo[3.2.0]heptane]?
The canonical SMILES for spiro[1,3-dioxolane-2,6'-3-azabicyclo[3.2.0]heptane] is C1COC2(CC3CNCC32)O1.
What is the InChIKey of spiro[1,3-dioxolane-2,6'-3-azabicyclo[3.2.0]heptane]?
The InChIKey is MKOVFRZQXCZRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-11-8(10-1)3-6-4-9-5-7(6)8/h6-7,9H,1-5H2.
What are the key properties of spiro[1,3-dioxolane-2,6'-3-azabicyclo[3.2.0]heptane]?
spiro[1,3-dioxolane-2,6'-3-azabicyclo[3.2.0]heptane] has a molecular weight of 155.20 g/mol, XLogP of -0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,6'-3-azabicyclo[3.2.0]heptane] is sourced from PubChem (CID 71430725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).