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2,5-Dimethyl-1-phenyl-3-vinyl-1H-pyrrole

HCID 59259288
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
C=Cc1cc(C)n(-c2ccccc2)c1C
InChIKey
BKYASHRTSRDTFX-UHFFFAOYSA-N
Molecular formula
C14H15N
Average molar mass
197.27 g/mol
Monoisotopic mass
197.12044948

Names & identifiers

Preferred name
2,5-Dimethyl-1-phenyl-3-vinyl-1H-pyrrole
IUPAC
3-ethenyl-2,5-dimethyl-1-phenylpyrrole

Names & synonyms

SCHEMBL645577BKYASHRTSRDTFX-UHFFFAOYSA-N2,5-Dimethyl-1-phenyl-3-vinyl-1H-pyrrole

Database identifiers

PubChem CID
59259288

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
4.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
2
Heavy atoms
15
Formal charge
0
Complexity
217

Related reactions

6 records
New reaction record
HRID 172190 reaction equation
HRID 172190As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 304477 reaction equation
HRID 304477As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 641811 reaction equation
HRID 641811As productuspto-grants-2010_04
HRID 641813 reaction equation
HRID 641813As reactantuspto-grants-2010_04
HRID 673420 reaction equation
HRID 673420As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1642352 reaction equation
HRID 1642352As productuspto-grants-2012_02

Compound notes

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