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N-(cyanomethyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide

HCID 73040197
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#CCNC(=O)C1CCCCC1CO
InChIKey
VTENPZHMPLQAAK-UHFFFAOYSA-N
Molecular formula
C10H16N2O2
Average molar mass
196.25 g/mol
Monoisotopic mass
196.12117776

Names & identifiers

Preferred name
N-(cyanomethyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
IUPAC
N-(cyanomethyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide

Names & synonyms

SCHEMBL4614025

Database identifiers

PubChem CID
73040197

Properties

Computed structural properties

XLogP
0.4
Topological polar surface area
73.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Formal charge
0
Complexity
244

Related reactions

3 records
New reaction record
HRID 189463 reaction equation
HRID 189463As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 816931 reaction equation
HRID 816931As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 1143221 reaction equation
HRID 1143221As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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