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

C9H15NO2 — CID 66391749

IUPAC3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal
SMILESO=CCCN1CC2CCC(C1)O2
InChIInChI=1S/C9H15NO2/c11-5-1-4-10-6-8-2-3-9(7-10)12-8/h5,8-9H,1-4,6-7H2
InChIKeyLNOSIHFERAATKL-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.44
Rot. Bonds3

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

3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal (PubChem CID 66391749) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal.

Molecular Properties

Compound Name3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal
PubChem CID66391749
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal
SMILESO=CCCN1CC2CCC(C1)O2
InChIInChI=1S/C9H15NO2/c11-5-1-4-10-6-8-2-3-9(7-10)12-8/h5,8-9H,1-4,6-7H2
InChIKeyLNOSIHFERAATKL-UHFFFAOYSA-N
XLogP0.44
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.44
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

1-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 21544575
8-Oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde
CID 21925217
1-[(Oxolan-2-yl)methyl]piperidin-4-one
CID 24706430
2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)acetaldehyde
CID 66394065
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
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
1-[(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octan-3-yl]propan-1-one
CID 146186453

Frequently Asked Questions

What is the IUPAC name of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal?
The IUPAC name of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal (CID 66391749) is 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal.
What is the SMILES notation for 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal?
The canonical SMILES for 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal is O=CCCN1CC2CCC(C1)O2.
What is the InChIKey of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal?
The InChIKey is LNOSIHFERAATKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-5-1-4-10-6-8-2-3-9(7-10)12-8/h5,8-9H,1-4,6-7H2.
What are the key properties of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal?
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal has a molecular weight of 169.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanal is sourced from PubChem (CID 66391749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).