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3-(6-Methoxy-cyclohex-1-enyl)-1H-indole

HCID 58975073
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
COC1CCCC=C1c1c[nH]c2ccccc12
InChIKey
PKBGQFPDQXNOPC-UHFFFAOYSA-N
Molecular formula
C15H17NO
Average molar mass
227.3 g/mol

Names & identifiers

Preferred name
3-(6-Methoxy-cyclohex-1-enyl)-1H-indole
IUPAC
3-(6-methoxycyclohexen-1-yl)-1H-indole

Names & synonyms

SCHEMBL1413318PKBGQFPDQXNOPC-UHFFFAOYSA-N3-(6-Methoxy-cyclohex-1-enyl)-1H-indole

Database identifiers

PubChem CID
58975073

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
25 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
17
Formal charge
0
Complexity
299

Related reactions

6 records
New reaction record
HRID 736965 reaction equation
HRID 736965As productuspto-grants-2009_09
HRID 736966 reaction equation
HRID 736966As reactantuspto-grants-2009_09
HRID 837082 reaction equation
HRID 837082As productTest data from https://doi.org/10.1039/C8SC04228D
HRID 1131969 reaction equation
HRID 1131969As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1178902 reaction equation
HRID 1178902As productuspto-grants-2007_10
HRID 1178903 reaction equation
HRID 1178903As reactantuspto-grants-2007_10

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes