2-azabicyclo[2.2.1]heptane-3-carbaldehyde

C7H11NO — CID 19067709

IUPAC2-azabicyclo[2.2.1]heptane-3-carbaldehyde
SMILESO=CC1NC2CCC1C2
InChIInChI=1S/C7H11NO/c9-4-7-5-1-2-6(3-5)8-7/h4-8H,1-3H2
InChIKeyQSOZKLBTFICVJQ-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.33
Rot. Bonds1

About 2-azabicyclo[2.2.1]heptane-3-carbaldehyde

2-azabicyclo[2.2.1]heptane-3-carbaldehyde (PubChem CID 19067709) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-azabicyclo[2.2.1]heptane-3-carbaldehyde.

Molecular Properties

Compound Name2-azabicyclo[2.2.1]heptane-3-carbaldehyde
PubChem CID19067709
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2-azabicyclo[2.2.1]heptane-3-carbaldehyde
SMILESO=CC1NC2CCC1C2
InChIInChI=1S/C7H11NO/c9-4-7-5-1-2-6(3-5)8-7/h4-8H,1-3H2
InChIKeyQSOZKLBTFICVJQ-UHFFFAOYSA-N
XLogP0.33
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.33
H-Bond Donors ≤ 51
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 2-azabicyclo[2.2.1]heptane-3-carbaldehyde?
The IUPAC name of 2-azabicyclo[2.2.1]heptane-3-carbaldehyde (CID 19067709) is 2-azabicyclo[2.2.1]heptane-3-carbaldehyde.
What is the SMILES notation for 2-azabicyclo[2.2.1]heptane-3-carbaldehyde?
The canonical SMILES for 2-azabicyclo[2.2.1]heptane-3-carbaldehyde is O=CC1NC2CCC1C2.
What is the InChIKey of 2-azabicyclo[2.2.1]heptane-3-carbaldehyde?
The InChIKey is QSOZKLBTFICVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c9-4-7-5-1-2-6(3-5)8-7/h4-8H,1-3H2.
What are the key properties of 2-azabicyclo[2.2.1]heptane-3-carbaldehyde?
2-azabicyclo[2.2.1]heptane-3-carbaldehyde has a molecular weight of 125.17 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[2.2.1]heptane-3-carbaldehyde is sourced from PubChem (CID 19067709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).