1-azabicyclo[3.2.2]nonane-7-carbaldehyde

C9H15NO — CID 142037788

IUPAC1-azabicyclo[3.2.2]nonane-7-carbaldehyde
SMILESO=CC1CC2CCCN1CC2
InChIInChI=1S/C9H15NO/c11-7-9-6-8-2-1-4-10(9)5-3-8/h7-9H,1-6H2
InChIKeyRXRNUGVSHPJUMT-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.06
Rot. Bonds1

About 1-azabicyclo[3.2.2]nonane-7-carbaldehyde

1-azabicyclo[3.2.2]nonane-7-carbaldehyde (PubChem CID 142037788) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-azabicyclo[3.2.2]nonane-7-carbaldehyde.

Molecular Properties

Compound Name1-azabicyclo[3.2.2]nonane-7-carbaldehyde
PubChem CID142037788
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-azabicyclo[3.2.2]nonane-7-carbaldehyde
SMILESO=CC1CC2CCCN1CC2
InChIInChI=1S/C9H15NO/c11-7-9-6-8-2-1-4-10(9)5-3-8/h7-9H,1-6H2
InChIKeyRXRNUGVSHPJUMT-UHFFFAOYSA-N
XLogP1.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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[3.2.2]nonane-7-carbaldehyde?
The IUPAC name of 1-azabicyclo[3.2.2]nonane-7-carbaldehyde (CID 142037788) is 1-azabicyclo[3.2.2]nonane-7-carbaldehyde.
What is the SMILES notation for 1-azabicyclo[3.2.2]nonane-7-carbaldehyde?
The canonical SMILES for 1-azabicyclo[3.2.2]nonane-7-carbaldehyde is O=CC1CC2CCCN1CC2.
What is the InChIKey of 1-azabicyclo[3.2.2]nonane-7-carbaldehyde?
The InChIKey is RXRNUGVSHPJUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c11-7-9-6-8-2-1-4-10(9)5-3-8/h7-9H,1-6H2.
What are the key properties of 1-azabicyclo[3.2.2]nonane-7-carbaldehyde?
1-azabicyclo[3.2.2]nonane-7-carbaldehyde has a molecular weight of 153.22 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.2.2]nonane-7-carbaldehyde is sourced from PubChem (CID 142037788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).