4-[(3-phenoxyphenyl)methylidene]-2,3-dihydropyrrole

C17H15NO — CID 54280592

IUPAC4-[(3-phenoxyphenyl)methylidene]-2,3-dihydropyrrole
SMILESC1=NCCC1=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H15NO/c1-2-6-16(7-3-1)19-17-8-4-5-14(12-17)11-15-9-10-18-13-15/h1-8,11-13H,9-10H2
InChIKeyRQMYKDWMGBSCIG-UHFFFAOYSA-N
MW249.31 g/mol
LogP4.34
Rot. Bonds3

About 4-[(3-phenoxyphenyl)methylidene]-2,3-dihydropyrrole

4-[(3-phenoxyphenyl)methylidene]-2,3-dihydropyrrole (PubChem CID 54280592) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[(3-phenoxyphenyl)methylidene]-2,3-dihydropyrrole.

Molecular Properties

Compound Name4-[(3-phenoxyphenyl)methylidene]-2,3-dihydropyrrole
PubChem CID54280592
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name4-[(3-phenoxyphenyl)methylidene]-2,3-dihydropyrrole
SMILESC1=NCCC1=Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C17H15NO/c1-2-6-16(7-3-1)19-17-8-4-5-14(12-17)11-15-9-10-18-13-15/h1-8,11-13H,9-10H2
InChIKeyRQMYKDWMGBSCIG-UHFFFAOYSA-N
XLogP4.34
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(3-phenoxyphenyl)methylidene]-2,3-dihydropyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenoxyphenyl)methylidene]-2,3-dihydropyrrole?
The IUPAC name of 4-[(3-phenoxyphenyl)methylidene]-2,3-dihydropyrrole (CID 54280592) is 4-[(3-phenoxyphenyl)methylidene]-2,3-dihydropyrrole.
What is the SMILES notation for 4-[(3-phenoxyphenyl)methylidene]-2,3-dihydropyrrole?
The canonical SMILES for 4-[(3-phenoxyphenyl)methylidene]-2,3-dihydropyrrole is C1=NCCC1=Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 4-[(3-phenoxyphenyl)methylidene]-2,3-dihydropyrrole?
The InChIKey is RQMYKDWMGBSCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c1-2-6-16(7-3-1)19-17-8-4-5-14(12-17)11-15-9-10-18-13-15/h1-8,11-13H,9-10H2.
What are the key properties of 4-[(3-phenoxyphenyl)methylidene]-2,3-dihydropyrrole?
4-[(3-phenoxyphenyl)methylidene]-2,3-dihydropyrrole has a molecular weight of 249.31 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenoxyphenyl)methylidene]-2,3-dihydropyrrole is sourced from PubChem (CID 54280592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).