3-(oxolan-2-ylmethyl)azetidine

C8H15NO — CID 79451805

IUPAC3-(oxolan-2-ylmethyl)azetidine
SMILESC1COC(CC2CNC2)C1
InChIInChI=1S/C8H15NO/c1-2-8(10-3-1)4-7-5-9-6-7/h7-9H,1-6H2
InChIKeyPWULBFUGKBTOTF-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.77
Rot. Bonds2

About 3-(oxolan-2-ylmethyl)azetidine

3-(oxolan-2-ylmethyl)azetidine (PubChem CID 79451805) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethyl)azetidine.

Molecular Properties

Compound Name3-(oxolan-2-ylmethyl)azetidine
PubChem CID79451805
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-(oxolan-2-ylmethyl)azetidine
SMILESC1COC(CC2CNC2)C1
InChIInChI=1S/C8H15NO/c1-2-8(10-3-1)4-7-5-9-6-7/h7-9H,1-6H2
InChIKeyPWULBFUGKBTOTF-UHFFFAOYSA-N
XLogP0.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethyl)azetidine?
The IUPAC name of 3-(oxolan-2-ylmethyl)azetidine (CID 79451805) is 3-(oxolan-2-ylmethyl)azetidine.
What is the SMILES notation for 3-(oxolan-2-ylmethyl)azetidine?
The canonical SMILES for 3-(oxolan-2-ylmethyl)azetidine is C1COC(CC2CNC2)C1.
What is the InChIKey of 3-(oxolan-2-ylmethyl)azetidine?
The InChIKey is PWULBFUGKBTOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-8(10-3-1)4-7-5-9-6-7/h7-9H,1-6H2.
What are the key properties of 3-(oxolan-2-ylmethyl)azetidine?
3-(oxolan-2-ylmethyl)azetidine has a molecular weight of 141.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethyl)azetidine is sourced from PubChem (CID 79451805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).