2-azabicyclo[3.3.1]non-6-ene-2-carbaldehyde

C9H13NO — CID 58123709

IUPAC2-azabicyclo[3.3.1]non-6-ene-2-carbaldehyde
SMILESO=CN1CCC2C=CCC1C2
InChIInChI=1S/C9H13NO/c11-7-10-5-4-8-2-1-3-9(10)6-8/h1-2,7-9H,3-6H2
InChIKeyWVYGKQLOELCDOB-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.18
Rot. Bonds1

About 2-azabicyclo[3.3.1]non-6-ene-2-carbaldehyde

2-azabicyclo[3.3.1]non-6-ene-2-carbaldehyde (PubChem CID 58123709) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 2-azabicyclo[3.3.1]non-6-ene-2-carbaldehyde.

Molecular Properties

Compound Name2-azabicyclo[3.3.1]non-6-ene-2-carbaldehyde
PubChem CID58123709
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name2-azabicyclo[3.3.1]non-6-ene-2-carbaldehyde
SMILESO=CN1CCC2C=CCC1C2
InChIInChI=1S/C9H13NO/c11-7-10-5-4-8-2-1-3-9(10)6-8/h1-2,7-9H,3-6H2
InChIKeyWVYGKQLOELCDOB-UHFFFAOYSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[3.3.1]non-6-ene-2-carbaldehyde?
The IUPAC name of 2-azabicyclo[3.3.1]non-6-ene-2-carbaldehyde (CID 58123709) is 2-azabicyclo[3.3.1]non-6-ene-2-carbaldehyde.
What is the SMILES notation for 2-azabicyclo[3.3.1]non-6-ene-2-carbaldehyde?
The canonical SMILES for 2-azabicyclo[3.3.1]non-6-ene-2-carbaldehyde is O=CN1CCC2C=CCC1C2.
What is the InChIKey of 2-azabicyclo[3.3.1]non-6-ene-2-carbaldehyde?
The InChIKey is WVYGKQLOELCDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c11-7-10-5-4-8-2-1-3-9(10)6-8/h1-2,7-9H,3-6H2.
What are the key properties of 2-azabicyclo[3.3.1]non-6-ene-2-carbaldehyde?
2-azabicyclo[3.3.1]non-6-ene-2-carbaldehyde has a molecular weight of 151.21 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[3.3.1]non-6-ene-2-carbaldehyde is sourced from PubChem (CID 58123709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).