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(1H-Indol-7-yl)-carbamic acid benzyl ester

HCID 24749680
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(Nc1cccc2cc[nH]c12)OCc1ccccc1
InChIKey
NHSHQNSOEFPNBH-UHFFFAOYSA-N
Molecular formula
C16H14N2O2
Average molar mass
266.29 g/mol

Names & identifiers

Preferred name
(1H-Indol-7-yl)-carbamic acid benzyl ester
IUPAC
benzyl N-(1H-indol-7-yl)carbamate

Names & synonyms

SCHEMBL3290935NHSHQNSOEFPNBH-UHFFFAOYSA-N(1H-Indol-7-yl)-carbamic acid benzyl ester

Database identifiers

PubChem CID
24749680

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
54.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
20
Formal charge
0
Complexity
328

Related reactions

4 records
New reaction record
HRID 13698 reaction equation
HRID 13698As productuspto-grants-2010_06
HRID 13711 reaction equation
HRID 13711As reactantuspto-grants-2010_06
HRID 202649 reaction equation
HRID 202649As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 1151485 reaction equation
HRID 1151485As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes