3-(2-ethoxyethylidene)azetidine

C7H13NO — CID 54409560

IUPAC3-(2-ethoxyethylidene)azetidine
SMILESCCOCC=C1CNC1
InChIInChI=1S/C7H13NO/c1-2-9-4-3-7-5-8-6-7/h3,8H,2,4-6H2,1H3
InChIKeyVTDGDYUWVMMZJR-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.55
Rot. Bonds3

About 3-(2-ethoxyethylidene)azetidine

3-(2-ethoxyethylidene)azetidine (PubChem CID 54409560) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-(2-ethoxyethylidene)azetidine.

Molecular Properties

Compound Name3-(2-ethoxyethylidene)azetidine
PubChem CID54409560
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-(2-ethoxyethylidene)azetidine
SMILESCCOCC=C1CNC1
InChIInChI=1S/C7H13NO/c1-2-9-4-3-7-5-8-6-7/h3,8H,2,4-6H2,1H3
InChIKeyVTDGDYUWVMMZJR-UHFFFAOYSA-N
XLogP0.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(oxetan-3-ylidene)ethanamine
CID 141356196
(Z)-1-methoxy-N,2-dimethylbut-2-en-1-amine
CID 143962949
3-(1-Methoxypropan-2-ylidene)azetidine
CID 116092375
3-(2-Methoxyethylidene)azetidine hydrochloride
CID 126845425
3-(2-Methoxyethylidene)azetidine
CID 126845426

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethylidene)azetidine?
The IUPAC name of 3-(2-ethoxyethylidene)azetidine (CID 54409560) is 3-(2-ethoxyethylidene)azetidine.
What is the SMILES notation for 3-(2-ethoxyethylidene)azetidine?
The canonical SMILES for 3-(2-ethoxyethylidene)azetidine is CCOCC=C1CNC1.
What is the InChIKey of 3-(2-ethoxyethylidene)azetidine?
The InChIKey is VTDGDYUWVMMZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-9-4-3-7-5-8-6-7/h3,8H,2,4-6H2,1H3.
What are the key properties of 3-(2-ethoxyethylidene)azetidine?
3-(2-ethoxyethylidene)azetidine has a molecular weight of 127.19 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethylidene)azetidine is sourced from PubChem (CID 54409560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).