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benzyl N-(but-3-en-2-yl)carbamate

HCID 66849795
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
C=CC(C)NC(=O)OCc1ccccc1
InChIKey
KAIUHMMINIXQOJ-UHFFFAOYSA-N
Molecular formula
C12H15NO2
Average molar mass
205.25 g/mol

Names & identifiers

Preferred name
benzyl N-(but-3-en-2-yl)carbamate
IUPAC
benzyl N-but-3-en-2-ylcarbamate

Names & synonyms

benzyl N-(but-3-en-2-yl)carbamate296777-69-0SCHEMBL937972EN300-4418047

Database identifiers

PubChem CID
66849795
Nikkaji
J1.350.685J

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
15
Formal charge
0
Complexity
210

Related reactions

2 records
New reaction record
HRID 952143 reaction equation
HRID 952143As productValidation data from https://doi.org/10.1039/C8SC04228D
HRID 2122831 reaction equation
HRID 2122831As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes