1-ethenoxyazetidine

C5H9NO — CID 140776703

IUPAC1-ethenoxyazetidine
SMILESC=CON1CCC1
InChIInChI=1S/C5H9NO/c1-2-7-6-4-3-5-6/h2H,1,3-5H2
InChIKeyBAAQLSPLLFJUQF-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.77
Rot. Bonds2

About 1-ethenoxyazetidine

1-ethenoxyazetidine (PubChem CID 140776703) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 1-ethenoxyazetidine.

Molecular Properties

Compound Name1-ethenoxyazetidine
PubChem CID140776703
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name1-ethenoxyazetidine
SMILESC=CON1CCC1
InChIInChI=1S/C5H9NO/c1-2-7-6-4-3-5-6/h2H,1,3-5H2
InChIKeyBAAQLSPLLFJUQF-UHFFFAOYSA-N
XLogP0.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxyazetidine?
The IUPAC name of 1-ethenoxyazetidine (CID 140776703) is 1-ethenoxyazetidine.
What is the SMILES notation for 1-ethenoxyazetidine?
The canonical SMILES for 1-ethenoxyazetidine is C=CON1CCC1.
What is the InChIKey of 1-ethenoxyazetidine?
The InChIKey is BAAQLSPLLFJUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c1-2-7-6-4-3-5-6/h2H,1,3-5H2.
What are the key properties of 1-ethenoxyazetidine?
1-ethenoxyazetidine has a molecular weight of 99.13 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxyazetidine is sourced from PubChem (CID 140776703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).