3-propan-2-yloxyazetidine

C6H13NO — CID 51358586

IUPAC3-propan-2-yloxyazetidine
SMILESCC(C)OC1CNC1
InChIInChI=1S/C6H13NO/c1-5(2)8-6-3-7-4-6/h5-7H,3-4H2,1-2H3
InChIKeyQQOPXZDLCMWTIO-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.38
Rot. Bonds2

About 3-propan-2-yloxyazetidine

3-propan-2-yloxyazetidine (PubChem CID 51358586) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 3-propan-2-yloxyazetidine.

Molecular Properties

Compound Name3-propan-2-yloxyazetidine
PubChem CID51358586
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name3-propan-2-yloxyazetidine
SMILESCC(C)OC1CNC1
InChIInChI=1S/C6H13NO/c1-5(2)8-6-3-7-4-6/h5-7H,3-4H2,1-2H3
InChIKeyQQOPXZDLCMWTIO-UHFFFAOYSA-N
XLogP0.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxyazetidine?
The IUPAC name of 3-propan-2-yloxyazetidine (CID 51358586) is 3-propan-2-yloxyazetidine.
What is the SMILES notation for 3-propan-2-yloxyazetidine?
The canonical SMILES for 3-propan-2-yloxyazetidine is CC(C)OC1CNC1.
What is the InChIKey of 3-propan-2-yloxyazetidine?
The InChIKey is QQOPXZDLCMWTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(2)8-6-3-7-4-6/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-propan-2-yloxyazetidine?
3-propan-2-yloxyazetidine has a molecular weight of 115.18 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxyazetidine is sourced from PubChem (CID 51358586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).