3-ethyl-3-(oxolan-2-ylmethyl)azetidine

C10H19NO — CID 79451661

IUPAC3-ethyl-3-(oxolan-2-ylmethyl)azetidine
SMILESCCC1(CC2CCCO2)CNC1
InChIInChI=1S/C10H19NO/c1-2-10(7-11-8-10)6-9-4-3-5-12-9/h9,11H,2-8H2,1H3
InChIKeyHGNQTSVNSSTQFN-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.56
Rot. Bonds3

About 3-ethyl-3-(oxolan-2-ylmethyl)azetidine

3-ethyl-3-(oxolan-2-ylmethyl)azetidine (PubChem CID 79451661) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-ethyl-3-(oxolan-2-ylmethyl)azetidine.

Molecular Properties

Compound Name3-ethyl-3-(oxolan-2-ylmethyl)azetidine
PubChem CID79451661
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-ethyl-3-(oxolan-2-ylmethyl)azetidine
SMILESCCC1(CC2CCCO2)CNC1
InChIInChI=1S/C10H19NO/c1-2-10(7-11-8-10)6-9-4-3-5-12-9/h9,11H,2-8H2,1H3
InChIKeyHGNQTSVNSSTQFN-UHFFFAOYSA-N
XLogP1.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-ethyl-3-(oxolan-2-ylmethyl)azetidine?
The IUPAC name of 3-ethyl-3-(oxolan-2-ylmethyl)azetidine (CID 79451661) is 3-ethyl-3-(oxolan-2-ylmethyl)azetidine.
What is the SMILES notation for 3-ethyl-3-(oxolan-2-ylmethyl)azetidine?
The canonical SMILES for 3-ethyl-3-(oxolan-2-ylmethyl)azetidine is CCC1(CC2CCCO2)CNC1.
What is the InChIKey of 3-ethyl-3-(oxolan-2-ylmethyl)azetidine?
The InChIKey is HGNQTSVNSSTQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-10(7-11-8-10)6-9-4-3-5-12-9/h9,11H,2-8H2,1H3.
What are the key properties of 3-ethyl-3-(oxolan-2-ylmethyl)azetidine?
3-ethyl-3-(oxolan-2-ylmethyl)azetidine has a molecular weight of 169.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(oxolan-2-ylmethyl)azetidine is sourced from PubChem (CID 79451661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).