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2-(Pyridin-4-yl)-methylene-indan-1-one

HCID 19973473
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
C=C1c2ccccc2C(=O)C1c1ccncc1
InChIKey
WEPCSJRIUJPNEW-UHFFFAOYSA-N
Molecular formula
C15H11NO
Average molar mass
221.25 g/mol
Monoisotopic mass
221.08406397

Names & identifiers

Preferred name
2-(Pyridin-4-yl)-methylene-indan-1-one
IUPAC
3-methylidene-2-pyridin-4-ylinden-1-one

Names & synonyms

SCHEMBL6274633WEPCSJRIUJPNEW-UHFFFAOYSA-N2-(Pyridin-4-yl)-methylene-indan-1-one

Database identifiers

PubChem CID
19973473

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
30 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
17
Formal charge
0
Complexity
330

Related reactions

3 records
New reaction record
HRID 951364 reaction equation
HRID 951364As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1452032 reaction equation
HRID 1452032As productuspto-grants-1997_02
HRID 1452034 reaction equation
HRID 1452034As reactantuspto-grants-1997_02

Compound notes

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