(1S,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbaldehyde

C7H11NO2 — CID 144814089

IUPAC(1S,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbaldehyde
SMILESO=CN1[C@H]2CC[C@H]1COC2
InChIInChI=1S/C7H11NO2/c9-5-8-6-1-2-7(8)4-10-3-6/h5-7H,1-4H2/t6-,7-/m0/s1
InChIKeyLDDIMPWOCOECJW-BQBZGAKWSA-N
MW141.17 g/mol
LogP0.01
Rot. Bonds1

About (1S,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbaldehyde

(1S,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbaldehyde (PubChem CID 144814089) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (1S,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbaldehyde.

Molecular Properties

Compound Name(1S,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbaldehyde
PubChem CID144814089
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(1S,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbaldehyde
SMILESO=CN1[C@H]2CC[C@H]1COC2
InChIInChI=1S/C7H11NO2/c9-5-8-6-1-2-7(8)4-10-3-6/h5-7H,1-4H2/t6-,7-/m0/s1
InChIKeyLDDIMPWOCOECJW-BQBZGAKWSA-N
XLogP0.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.01
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 (1S,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbaldehyde?
The IUPAC name of (1S,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbaldehyde (CID 144814089) is (1S,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbaldehyde.
What is the SMILES notation for (1S,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbaldehyde?
The canonical SMILES for (1S,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbaldehyde is O=CN1[C@H]2CC[C@H]1COC2.
What is the InChIKey of (1S,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbaldehyde?
The InChIKey is LDDIMPWOCOECJW-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H11NO2/c9-5-8-6-1-2-7(8)4-10-3-6/h5-7H,1-4H2/t6-,7-/m0/s1.
What are the key properties of (1S,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbaldehyde?
(1S,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbaldehyde has a molecular weight of 141.17 g/mol, XLogP of 0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3-oxa-8-azabicyclo[3.2.1]octane-8-carbaldehyde is sourced from PubChem (CID 144814089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).