3-(2-methoxyethylidene)azetidine

C6H11NO — CID 126845426

IUPAC3-(2-methoxyethylidene)azetidine
SMILESCOCC=C1CNC1
InChIInChI=1S/C6H11NO/c1-8-3-2-6-4-7-5-6/h2,7H,3-5H2,1H3
InChIKeyMWYFOBIFNRFUNT-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.16
Rot. Bonds2

About 3-(2-methoxyethylidene)azetidine

3-(2-methoxyethylidene)azetidine (PubChem CID 126845426) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-(2-methoxyethylidene)azetidine.

Molecular Properties

Compound Name3-(2-methoxyethylidene)azetidine
PubChem CID126845426
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3-(2-methoxyethylidene)azetidine
SMILESCOCC=C1CNC1
InChIInChI=1S/C6H11NO/c1-8-3-2-6-4-7-5-6/h2,7H,3-5H2,1H3
InChIKeyMWYFOBIFNRFUNT-UHFFFAOYSA-N
XLogP0.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(2-Ethoxyethylidene)azetidine
CID 54409560
N-ethyl-2-(oxetan-3-ylidene)ethanamine
CID 141356196
(Z)-1-methoxy-N,2-dimethylbut-2-en-1-amine
CID 143962949
2-(Oxetan-3-ylidene)ethanamine
CID 115011031
3-(1-Methoxypropan-2-ylidene)azetidine
CID 116092375
3-(2-Methoxyethylidene)azetidine hydrochloride
CID 126845425

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylidene)azetidine?
The IUPAC name of 3-(2-methoxyethylidene)azetidine (CID 126845426) is 3-(2-methoxyethylidene)azetidine.
What is the SMILES notation for 3-(2-methoxyethylidene)azetidine?
The canonical SMILES for 3-(2-methoxyethylidene)azetidine is COCC=C1CNC1.
What is the InChIKey of 3-(2-methoxyethylidene)azetidine?
The InChIKey is MWYFOBIFNRFUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-8-3-2-6-4-7-5-6/h2,7H,3-5H2,1H3.
What are the key properties of 3-(2-methoxyethylidene)azetidine?
3-(2-methoxyethylidene)azetidine has a molecular weight of 113.16 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylidene)azetidine is sourced from PubChem (CID 126845426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).