2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde

C8H13NO2 — CID 66394065

IUPAC2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde
SMILESO=CCN1CC2CCC(C1)O2
InChIInChI=1S/C8H13NO2/c10-4-3-9-5-7-1-2-8(6-9)11-7/h4,7-8H,1-3,5-6H2
InChIKeySTLBZSKGAQGWLR-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.05
Rot. Bonds2

About 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde

2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde (PubChem CID 66394065) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde
PubChem CID66394065
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde
SMILESO=CCN1CC2CCC(C1)O2
InChIInChI=1S/C8H13NO2/c10-4-3-9-5-7-1-2-8(6-9)11-7/h4,7-8H,1-3,5-6H2
InChIKeySTLBZSKGAQGWLR-UHFFFAOYSA-N
XLogP0.05
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 ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-Oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde
CID 21925217
2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid
CID 66391932
3-Ethyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 66615302
2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde;hydrochloride
CID 87331547
2-(3-Oxa-8-azabicyclo[3.2.1]octan-8-yl)acetaldehyde;hydrochloride
CID 87331556
2-(3-Oxa-8-azabicyclo[3.2.1]octan-8-yl)acetaldehyde
CID 87331557
3-(2-Propan-2-yloxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 89027255
3-(2-Methoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 89036631
3-(2-Ethoxyethyl)-8-oxa-3-azabicyclo[3.2.1]octane
CID 90160106
(1S,5S)-3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 132228368
(1R,5S)-8-oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde
CID 142421390
(5S)-3-ethyl-8-oxa-3-azabicyclo[3.2.1]octane
CID 146646171

Frequently Asked Questions

What is the IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde?
The IUPAC name of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde (CID 66394065) is 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde.
What is the SMILES notation for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde?
The canonical SMILES for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde is O=CCN1CC2CCC(C1)O2.
What is the InChIKey of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde?
The InChIKey is STLBZSKGAQGWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-4-3-9-5-7-1-2-8(6-9)11-7/h4,7-8H,1-3,5-6H2.
What are the key properties of 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde?
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde has a molecular weight of 155.20 g/mol, XLogP of 0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde is sourced from PubChem (CID 66394065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).