3-(2-methoxyethylidene)azetidine;hydrochloride

C6H12ClNO — CID 126845425

IUPAC3-(2-methoxyethylidene)azetidine;hydrochloride
SMILESCOCC=C1CNC1.Cl
InChIInChI=1S/C6H11NO.ClH/c1-8-3-2-6-4-7-5-6;/h2,7H,3-5H2,1H3;1H
InChIKeyCYGHYADXTLMROO-UHFFFAOYSA-N
MW149.62 g/mol
LogP0.58
Rot. Bonds2

About 3-(2-methoxyethylidene)azetidine;hydrochloride

3-(2-methoxyethylidene)azetidine;hydrochloride (PubChem CID 126845425) has the molecular formula C6H12ClNO and a molecular weight of 149.62 g/mol. Its IUPAC name is 3-(2-methoxyethylidene)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(2-methoxyethylidene)azetidine;hydrochloride
PubChem CID126845425
Molecular FormulaC6H12ClNO
Molecular Weight149.62 g/mol
Exact Mass149.06
IUPAC Name3-(2-methoxyethylidene)azetidine;hydrochloride
SMILESCOCC=C1CNC1.Cl
InChIInChI=1S/C6H11NO.ClH/c1-8-3-2-6-4-7-5-6;/h2,7H,3-5H2,1H3;1H
InChIKeyCYGHYADXTLMROO-UHFFFAOYSA-N
XLogP0.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.62
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylidene)azetidine;hydrochloride?
The IUPAC name of 3-(2-methoxyethylidene)azetidine;hydrochloride (CID 126845425) is 3-(2-methoxyethylidene)azetidine;hydrochloride.
What is the SMILES notation for 3-(2-methoxyethylidene)azetidine;hydrochloride?
The canonical SMILES for 3-(2-methoxyethylidene)azetidine;hydrochloride is COCC=C1CNC1.Cl.
What is the InChIKey of 3-(2-methoxyethylidene)azetidine;hydrochloride?
The InChIKey is CYGHYADXTLMROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.ClH/c1-8-3-2-6-4-7-5-6;/h2,7H,3-5H2,1H3;1H.
What are the key properties of 3-(2-methoxyethylidene)azetidine;hydrochloride?
3-(2-methoxyethylidene)azetidine;hydrochloride has a molecular weight of 149.62 g/mol, XLogP of 0.58, 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;hydrochloride is sourced from PubChem (CID 126845425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).