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4-butan-2-yl-2-methyl-1H-pyrrole

HCID 55300596
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCC(C)c1c[nH]c(C)c1
InChIKey
NYSXGFKYUGUKRZ-UHFFFAOYSA-N
Molecular formula
C9H15N
Average molar mass
137.22 g/mol

Names & identifiers

Preferred name
4-butan-2-yl-2-methyl-1H-pyrrole
IUPAC
4-butan-2-yl-2-methyl-1H-pyrrole

Names & synonyms

SCHEMBL891044AKOS006380833

Database identifiers

PubChem CID
55300596

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
15.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
0
Rotatable bonds
2
Heavy atoms
10
Formal charge
0
Complexity
101

Related reactions

1 records
New reaction record
HRID 700830 reaction equation
HRID 700830As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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