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5-Ethyl-1H-pyrrole-3-carbonitrile

HCID 55299166
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1cc(C#N)c[nH]1
InChIKey
KVKRCPKZCAVCNI-UHFFFAOYSA-N
Molecular formula
C7H8N2
Average molar mass
120.15 g/mol

Names & identifiers

Preferred name
5-Ethyl-1H-pyrrole-3-carbonitrile
IUPAC
5-ethyl-1H-pyrrole-3-carbonitrile

Names & synonyms

SCHEMBL3285074KVKRCPKZCAVCNI-UHFFFAOYSA-N5-Ethyl-1H-pyrrole-3-carbonitrileAKOS006376931

Database identifiers

PubChem CID
55299166

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
39.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
9
Formal charge
0
Complexity
133

Related reactions

3 records
New reaction record
HRID 210233 reaction equation
HRID 210233As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 2233828 reaction equation
HRID 2233828As productuspto-grants-2010_05
HRID 2233853 reaction equation
HRID 2233853As reactantuspto-grants-2010_05

Compound notes

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