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1-Mesityl-3-(1-methyl-2-pyrrolidylidene)urea

HCID 54521441
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
Cc1cc(C)c(NC(=O)N=C2CCCN2C)c(C)c1
InChIKey
YQCOPUFUXDAAKF-UHFFFAOYSA-N
Molecular formula
C15H21N3O
Average molar mass
259.35 g/mol

Names & identifiers

Preferred name
1-Mesityl-3-(1-methyl-2-pyrrolidylidene)urea
IUPAC
1-(1-methylpyrrolidin-2-ylidene)-3-(2,4,6-trimethylphenyl)urea

Names & synonyms

SCHEMBL11737085SCHEMBL11737090YQCOPUFUXDAAKF-UHFFFAOYSA-N1-mesityl-3-(1-methyl-2-pyrrolidylidene)urea

Database identifiers

PubChem CID
54521441

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
44.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
19
Formal charge
0
Complexity
354

Related reactions

4 records
New reaction record
HRID 103890 reaction equation
HRID 103890As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 1973945 reaction equation
HRID 1973945As productuspto-grants-1976_12
HRID 2071516 reaction equation
HRID 2071516As productuspto-grants-1977_09
HRID 2331833 reaction equation
HRID 2331833As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes