3-[3-(oxolan-2-yl)propyl]azetidine

C10H19NO — CID 79451397

IUPAC3-[3-(oxolan-2-yl)propyl]azetidine
SMILESC1COC(CCCC2CNC2)C1
InChIInChI=1S/C10H19NO/c1(3-9-7-11-8-9)4-10-5-2-6-12-10/h9-11H,1-8H2
InChIKeyXNHODXQNLIVDFV-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.56
Rot. Bonds4

About 3-[3-(oxolan-2-yl)propyl]azetidine

3-[3-(oxolan-2-yl)propyl]azetidine (PubChem CID 79451397) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-[3-(oxolan-2-yl)propyl]azetidine.

Molecular Properties

Compound Name3-[3-(oxolan-2-yl)propyl]azetidine
PubChem CID79451397
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-[3-(oxolan-2-yl)propyl]azetidine
SMILESC1COC(CCCC2CNC2)C1
InChIInChI=1S/C10H19NO/c1(3-9-7-11-8-9)4-10-5-2-6-12-10/h9-11H,1-8H2
InChIKeyXNHODXQNLIVDFV-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(oxolan-2-yl)propyl]azetidine?
The IUPAC name of 3-[3-(oxolan-2-yl)propyl]azetidine (CID 79451397) is 3-[3-(oxolan-2-yl)propyl]azetidine.
What is the SMILES notation for 3-[3-(oxolan-2-yl)propyl]azetidine?
The canonical SMILES for 3-[3-(oxolan-2-yl)propyl]azetidine is C1COC(CCCC2CNC2)C1.
What is the InChIKey of 3-[3-(oxolan-2-yl)propyl]azetidine?
The InChIKey is XNHODXQNLIVDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1(3-9-7-11-8-9)4-10-5-2-6-12-10/h9-11H,1-8H2.
What are the key properties of 3-[3-(oxolan-2-yl)propyl]azetidine?
3-[3-(oxolan-2-yl)propyl]azetidine has a molecular weight of 169.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(oxolan-2-yl)propyl]azetidine is sourced from PubChem (CID 79451397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).