3-ethyl-1-(oxetan-3-ylmethyl)azetidine

C9H17NO — CID 167097828

IUPAC3-ethyl-1-(oxetan-3-ylmethyl)azetidine
SMILESCCC1CN(CC2COC2)C1
InChIInChI=1S/C9H17NO/c1-2-8-3-10(4-8)5-9-6-11-7-9/h8-9H,2-7H2,1H3
InChIKeyQBMXURBUYUAJED-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.97
Rot. Bonds3

About 3-ethyl-1-(oxetan-3-ylmethyl)azetidine

3-ethyl-1-(oxetan-3-ylmethyl)azetidine (PubChem CID 167097828) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-ethyl-1-(oxetan-3-ylmethyl)azetidine.

Molecular Properties

Compound Name3-ethyl-1-(oxetan-3-ylmethyl)azetidine
PubChem CID167097828
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-ethyl-1-(oxetan-3-ylmethyl)azetidine
SMILESCCC1CN(CC2COC2)C1
InChIInChI=1S/C9H17NO/c1-2-8-3-10(4-8)5-9-6-11-7-9/h8-9H,2-7H2,1H3
InChIKeyQBMXURBUYUAJED-UHFFFAOYSA-N
XLogP0.97
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(oxetan-3-ylmethyl)azetidine?
The IUPAC name of 3-ethyl-1-(oxetan-3-ylmethyl)azetidine (CID 167097828) is 3-ethyl-1-(oxetan-3-ylmethyl)azetidine.
What is the SMILES notation for 3-ethyl-1-(oxetan-3-ylmethyl)azetidine?
The canonical SMILES for 3-ethyl-1-(oxetan-3-ylmethyl)azetidine is CCC1CN(CC2COC2)C1.
What is the InChIKey of 3-ethyl-1-(oxetan-3-ylmethyl)azetidine?
The InChIKey is QBMXURBUYUAJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-8-3-10(4-8)5-9-6-11-7-9/h8-9H,2-7H2,1H3.
What are the key properties of 3-ethyl-1-(oxetan-3-ylmethyl)azetidine?
3-ethyl-1-(oxetan-3-ylmethyl)azetidine has a molecular weight of 155.24 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(oxetan-3-ylmethyl)azetidine is sourced from PubChem (CID 167097828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).