3-methoxyazetidine

C4H9NO — CID 13401996

IUPAC3-methoxyazetidine
SMILESCOC1CNC1
InChIInChI=1S/C4H9NO/c1-6-4-2-5-3-4/h4-5H,2-3H2,1H3
InChIKeyAVPAYFOQPGPSCC-UHFFFAOYSA-N
MW87.12 g/mol
LogP-0.40
Rot. Bonds1

About 3-methoxyazetidine

3-methoxyazetidine (PubChem CID 13401996) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is 3-methoxyazetidine.

Molecular Properties

Compound Name3-methoxyazetidine
PubChem CID13401996
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Name3-methoxyazetidine
SMILESCOC1CNC1
InChIInChI=1S/C4H9NO/c1-6-4-2-5-3-4/h4-5H,2-3H2,1H3
InChIKeyAVPAYFOQPGPSCC-UHFFFAOYSA-N
XLogP-0.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxyazetidine?
The IUPAC name of 3-methoxyazetidine (CID 13401996) is 3-methoxyazetidine.
What is the SMILES notation for 3-methoxyazetidine?
The canonical SMILES for 3-methoxyazetidine is COC1CNC1.
What is the InChIKey of 3-methoxyazetidine?
The InChIKey is AVPAYFOQPGPSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-6-4-2-5-3-4/h4-5H,2-3H2,1H3.
What are the key properties of 3-methoxyazetidine?
3-methoxyazetidine has a molecular weight of 87.12 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyazetidine is sourced from PubChem (CID 13401996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).