3-oxa-9-azabicyclo[3.3.1]nonane-7-carbaldehyde

C8H13NO2 — CID 171936336

IUPAC3-oxa-9-azabicyclo[3.3.1]nonane-7-carbaldehyde
SMILESO=CC1CC2COCC(C1)N2
InChIInChI=1S/C8H13NO2/c10-3-6-1-7-4-11-5-8(2-6)9-7/h3,6-9H,1-2,4-5H2
InChIKeyUXGWKWJWEAZOPF-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.05
Rot. Bonds1

About 3-oxa-9-azabicyclo[3.3.1]nonane-7-carbaldehyde

3-oxa-9-azabicyclo[3.3.1]nonane-7-carbaldehyde (PubChem CID 171936336) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-oxa-9-azabicyclo[3.3.1]nonane-7-carbaldehyde.

Molecular Properties

Compound Name3-oxa-9-azabicyclo[3.3.1]nonane-7-carbaldehyde
PubChem CID171936336
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name3-oxa-9-azabicyclo[3.3.1]nonane-7-carbaldehyde
SMILESO=CC1CC2COCC(C1)N2
InChIInChI=1S/C8H13NO2/c10-3-6-1-7-4-11-5-8(2-6)9-7/h3,6-9H,1-2,4-5H2
InChIKeyUXGWKWJWEAZOPF-UHFFFAOYSA-N
XLogP-0.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-Fluoro-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)hexan-1-one
CID 171938032
5-Fluoro-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one
CID 171938712
5,5,5-Trifluoro-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)pentan-1-one
CID 171950150
Ethyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate
CID 15639117
3-Oxa-9-azabicyclo[3.3.1]nonane-7-carboxylic acid
CID 90026330
Methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate hydrochloride
CID 91634088
Methyl 3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxylate
CID 91634089
1-(3-Oxa-9-azabicyclo[3.3.1]nonan-7-yl)ethanone
CID 130416280
(1S,5R)-N,N-dimethyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide
CID 155758502
N,N-dimethyl-3-oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide
CID 156402437
3-Oxa-9-azabicyclo[3.3.1]nonane-7-carboxamide
CID 169006187
2-Methyl-1-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)propan-1-one
CID 171938878

Frequently Asked Questions

What is the IUPAC name of 3-oxa-9-azabicyclo[3.3.1]nonane-7-carbaldehyde?
The IUPAC name of 3-oxa-9-azabicyclo[3.3.1]nonane-7-carbaldehyde (CID 171936336) is 3-oxa-9-azabicyclo[3.3.1]nonane-7-carbaldehyde.
What is the SMILES notation for 3-oxa-9-azabicyclo[3.3.1]nonane-7-carbaldehyde?
The canonical SMILES for 3-oxa-9-azabicyclo[3.3.1]nonane-7-carbaldehyde is O=CC1CC2COCC(C1)N2.
What is the InChIKey of 3-oxa-9-azabicyclo[3.3.1]nonane-7-carbaldehyde?
The InChIKey is UXGWKWJWEAZOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-3-6-1-7-4-11-5-8(2-6)9-7/h3,6-9H,1-2,4-5H2.
What are the key properties of 3-oxa-9-azabicyclo[3.3.1]nonane-7-carbaldehyde?
3-oxa-9-azabicyclo[3.3.1]nonane-7-carbaldehyde has a molecular weight of 155.20 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxa-9-azabicyclo[3.3.1]nonane-7-carbaldehyde is sourced from PubChem (CID 171936336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).