1-azabicyclo[3.2.1]octan-6-yl formate

C8H13NO2 — CID 88631504

IUPAC1-azabicyclo[3.2.1]octan-6-yl formate
SMILESO=COC1CN2CCCC1C2
InChIInChI=1S/C8H13NO2/c10-6-11-8-5-9-3-1-2-7(8)4-9/h6-8H,1-5H2
InChIKeyBAOHLQAKCDWVPP-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.25
Rot. Bonds2

About 1-azabicyclo[3.2.1]octan-6-yl formate

1-azabicyclo[3.2.1]octan-6-yl formate (PubChem CID 88631504) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-azabicyclo[3.2.1]octan-6-yl formate.

Molecular Properties

Compound Name1-azabicyclo[3.2.1]octan-6-yl formate
PubChem CID88631504
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1-azabicyclo[3.2.1]octan-6-yl formate
SMILESO=COC1CN2CCCC1C2
InChIInChI=1S/C8H13NO2/c10-6-11-8-5-9-3-1-2-7(8)4-9/h6-8H,1-5H2
InChIKeyBAOHLQAKCDWVPP-UHFFFAOYSA-N
XLogP0.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.2.1]octan-6-yl formate?
The IUPAC name of 1-azabicyclo[3.2.1]octan-6-yl formate (CID 88631504) is 1-azabicyclo[3.2.1]octan-6-yl formate.
What is the SMILES notation for 1-azabicyclo[3.2.1]octan-6-yl formate?
The canonical SMILES for 1-azabicyclo[3.2.1]octan-6-yl formate is O=COC1CN2CCCC1C2.
What is the InChIKey of 1-azabicyclo[3.2.1]octan-6-yl formate?
The InChIKey is BAOHLQAKCDWVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-6-11-8-5-9-3-1-2-7(8)4-9/h6-8H,1-5H2.
What are the key properties of 1-azabicyclo[3.2.1]octan-6-yl formate?
1-azabicyclo[3.2.1]octan-6-yl formate has a molecular weight of 155.20 g/mol, XLogP of 0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.2.1]octan-6-yl formate is sourced from PubChem (CID 88631504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).