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5-(1-hydroxycyclohex-1-yl)-3-(2-pyrrolidinylethyl)-1H-indole

HCID 69948706
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
OC1(c2ccc3[nH]cc(CCN4CCCC4)c3c2)CCCCC1
InChIKey
VKPRXXLRKRJSPE-UHFFFAOYSA-N
Molecular formula
C20H28N2O
Average molar mass
312.4 g/mol

Names & identifiers

Preferred name
5-(1-hydroxycyclohex-1-yl)-3-(2-pyrrolidinylethyl)-1H-indole
IUPAC
1-[3-(2-pyrrolidin-1-ylethyl)-1H-indol-5-yl]cyclohexan-1-ol

Names & synonyms

SCHEMBL6969558VKPRXXLRKRJSPE-UHFFFAOYSA-N5-(1-hydroxycyclohex-1-yl)-3-(2-pyrrolidinylethyl)-1H-indole

Database identifiers

PubChem CID
69948706

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
39.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
23
Formal charge
0
Complexity
387

Related reactions

6 records
New reaction record
HRID 135261 reaction equation
HRID 135261As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 155883 reaction equation
HRID 155883As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 298526 reaction equation
HRID 298526As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 609734 reaction equation
HRID 609734As productuspto-grants-1999_12
HRID 609735 reaction equation
HRID 609735As productuspto-grants-1999_12
HRID 609736 reaction equation
HRID 609736As reactantuspto-grants-1999_12

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes