3-[(E)-2-(oxan-2-yl)ethenyl]azetidine

C10H17NO — CID 126844599

IUPAC3-[(E)-2-(oxan-2-yl)ethenyl]azetidine
SMILESC(=C/C1CCCCO1)\C1CNC1
InChIInChI=1S/C10H17NO/c1-2-6-12-10(3-1)5-4-9-7-11-8-9/h4-5,9-11H,1-3,6-8H2/b5-4+
InChIKeyVXVVAOLIOQWTGT-SNAWJCMRSA-N
MW167.25 g/mol
LogP1.33
Rot. Bonds2

About 3-[(E)-2-(oxan-2-yl)ethenyl]azetidine

3-[(E)-2-(oxan-2-yl)ethenyl]azetidine (PubChem CID 126844599) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-[(E)-2-(oxan-2-yl)ethenyl]azetidine.

Molecular Properties

Compound Name3-[(E)-2-(oxan-2-yl)ethenyl]azetidine
PubChem CID126844599
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-[(E)-2-(oxan-2-yl)ethenyl]azetidine
SMILESC(=C/C1CCCCO1)\C1CNC1
InChIInChI=1S/C10H17NO/c1-2-6-12-10(3-1)5-4-9-7-11-8-9/h4-5,9-11H,1-3,6-8H2/b5-4+
InChIKeyVXVVAOLIOQWTGT-SNAWJCMRSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(oxan-2-yl)ethenyl]azetidine?
The IUPAC name of 3-[(E)-2-(oxan-2-yl)ethenyl]azetidine (CID 126844599) is 3-[(E)-2-(oxan-2-yl)ethenyl]azetidine.
What is the SMILES notation for 3-[(E)-2-(oxan-2-yl)ethenyl]azetidine?
The canonical SMILES for 3-[(E)-2-(oxan-2-yl)ethenyl]azetidine is C(=C/C1CCCCO1)\C1CNC1.
What is the InChIKey of 3-[(E)-2-(oxan-2-yl)ethenyl]azetidine?
The InChIKey is VXVVAOLIOQWTGT-SNAWJCMRSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-6-12-10(3-1)5-4-9-7-11-8-9/h4-5,9-11H,1-3,6-8H2/b5-4+.
What are the key properties of 3-[(E)-2-(oxan-2-yl)ethenyl]azetidine?
3-[(E)-2-(oxan-2-yl)ethenyl]azetidine has a molecular weight of 167.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(oxan-2-yl)ethenyl]azetidine is sourced from PubChem (CID 126844599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).