2-phenoxyazetidine-1-carbaldehyde

C10H11NO2 — CID 23148203

IUPAC2-phenoxyazetidine-1-carbaldehyde
SMILESO=CN1CCC1Oc1ccccc1
InChIInChI=1S/C10H11NO2/c12-8-11-7-6-10(11)13-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2
InChIKeyNVIFBMMVLDQYEU-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.25
Rot. Bonds3

About 2-phenoxyazetidine-1-carbaldehyde

2-phenoxyazetidine-1-carbaldehyde (PubChem CID 23148203) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-phenoxyazetidine-1-carbaldehyde.

Molecular Properties

Compound Name2-phenoxyazetidine-1-carbaldehyde
PubChem CID23148203
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2-phenoxyazetidine-1-carbaldehyde
SMILESO=CN1CCC1Oc1ccccc1
InChIInChI=1S/C10H11NO2/c12-8-11-7-6-10(11)13-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2
InChIKeyNVIFBMMVLDQYEU-UHFFFAOYSA-N
XLogP1.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.25
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 2-phenoxyazetidine-1-carbaldehyde?
The IUPAC name of 2-phenoxyazetidine-1-carbaldehyde (CID 23148203) is 2-phenoxyazetidine-1-carbaldehyde.
What is the SMILES notation for 2-phenoxyazetidine-1-carbaldehyde?
The canonical SMILES for 2-phenoxyazetidine-1-carbaldehyde is O=CN1CCC1Oc1ccccc1.
What is the InChIKey of 2-phenoxyazetidine-1-carbaldehyde?
The InChIKey is NVIFBMMVLDQYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-8-11-7-6-10(11)13-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2.
What are the key properties of 2-phenoxyazetidine-1-carbaldehyde?
2-phenoxyazetidine-1-carbaldehyde has a molecular weight of 177.20 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxyazetidine-1-carbaldehyde is sourced from PubChem (CID 23148203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).