3-(2-phenylmethoxyethylidene)azetidine

C12H15NO — CID 130537509

IUPAC3-(2-phenylmethoxyethylidene)azetidine
SMILESC(COCc1ccccc1)=C1CNC1
InChIInChI=1S/C12H15NO/c1-2-4-11(5-3-1)10-14-7-6-12-8-13-9-12/h1-6,13H,7-10H2
InChIKeyHNOQECCJRWGPEO-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.73
Rot. Bonds4

About 3-(2-phenylmethoxyethylidene)azetidine

3-(2-phenylmethoxyethylidene)azetidine (PubChem CID 130537509) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(2-phenylmethoxyethylidene)azetidine.

Molecular Properties

Compound Name3-(2-phenylmethoxyethylidene)azetidine
PubChem CID130537509
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-(2-phenylmethoxyethylidene)azetidine
SMILESC(COCc1ccccc1)=C1CNC1
InChIInChI=1S/C12H15NO/c1-2-4-11(5-3-1)10-14-7-6-12-8-13-9-12/h1-6,13H,7-10H2
InChIKeyHNOQECCJRWGPEO-UHFFFAOYSA-N
XLogP1.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.73
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

[(E)-4-phenylbut-2-enoxy]methylbenzene
CID 20826226
CID 66734377
CID 66734377
[(Z)-3-chloroprop-2-enoxy]methylbenzene
CID 131246507
[(E)-4-iodobut-2-enoxy]methylbenzene
CID 11055319
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
(Z)-1-bromo-3-phenylmethoxyprop-1-en-1-ol
CID 174340205
buta-2,3-dienoxymethylbenzene
CID 15393691
ethane;phenylmethoxymethylbenzene
CID 90943549
(2-benzyl-3-phenylmethoxypropoxy)methylbenzene
CID 139384668
3,3-bis(phenylmethoxymethyl)azetidine
CID 139666551
4-phenylmethoxybut-2-enal
CID 56616610
5-phenylmethoxypent-3-enal
CID 54324259

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylmethoxyethylidene)azetidine?
The IUPAC name of 3-(2-phenylmethoxyethylidene)azetidine (CID 130537509) is 3-(2-phenylmethoxyethylidene)azetidine.
What is the SMILES notation for 3-(2-phenylmethoxyethylidene)azetidine?
The canonical SMILES for 3-(2-phenylmethoxyethylidene)azetidine is C(COCc1ccccc1)=C1CNC1.
What is the InChIKey of 3-(2-phenylmethoxyethylidene)azetidine?
The InChIKey is HNOQECCJRWGPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-4-11(5-3-1)10-14-7-6-12-8-13-9-12/h1-6,13H,7-10H2.
What are the key properties of 3-(2-phenylmethoxyethylidene)azetidine?
3-(2-phenylmethoxyethylidene)azetidine has a molecular weight of 189.26 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylmethoxyethylidene)azetidine is sourced from PubChem (CID 130537509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).