3-phenoxyazetidine

C9H11NO — CID 12812501

IUPAC3-phenoxyazetidine
SMILESc1ccc(OC2CNC2)cc1
InChIInChI=1S/C9H11NO/c1-2-4-8(5-3-1)11-9-6-10-7-9/h1-5,9-10H,6-7H2
InChIKeyCCDAHKDEKOTDGR-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.04
Rot. Bonds2

About 3-phenoxyazetidine

3-phenoxyazetidine (PubChem CID 12812501) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3-phenoxyazetidine.

Molecular Properties

Compound Name3-phenoxyazetidine
PubChem CID12812501
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3-phenoxyazetidine
SMILESc1ccc(OC2CNC2)cc1
InChIInChI=1S/C9H11NO/c1-2-4-8(5-3-1)11-9-6-10-7-9/h1-5,9-10H,6-7H2
InChIKeyCCDAHKDEKOTDGR-UHFFFAOYSA-N
XLogP1.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenoxyazetidine?
The IUPAC name of 3-phenoxyazetidine (CID 12812501) is 3-phenoxyazetidine.
What is the SMILES notation for 3-phenoxyazetidine?
The canonical SMILES for 3-phenoxyazetidine is c1ccc(OC2CNC2)cc1.
What is the InChIKey of 3-phenoxyazetidine?
The InChIKey is CCDAHKDEKOTDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-4-8(5-3-1)11-9-6-10-7-9/h1-5,9-10H,6-7H2.
What are the key properties of 3-phenoxyazetidine?
3-phenoxyazetidine has a molecular weight of 149.19 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxyazetidine is sourced from PubChem (CID 12812501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).