5-(1-Cyanocyclopropyl)-2-methoxybenzaldehyde

HCID 19066432

Notes Reactions

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Basic information

Standard SMILES: COc1ccc(C2(C#N)CC2)cc1C=O
InChIKey: VHTNUSRGCBQQTR-UHFFFAOYSA-N
Molecular formula: C12H11NO2
Average molar mass: 201.22 g/mol

Names & identifiers

Preferred name: 5-(1-Cyanocyclopropyl)-2-methoxybenzaldehyde
IUPAC: 1-(3-formyl-4-methoxyphenyl)cyclopropane-1-carbonitrile

Names & synonyms

SCHEMBL7586055VHTNUSRGCBQQTR-UHFFFAOYSA-NDS-0199945-(1-Cyanocyclopropyl)-2-methoxybenzaldehyde197654-64-1

Database identifiers

PubChem CID: 19066432

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 50.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 300

Related reactions

35 records

New reaction record

HRID 134132As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 166267As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 176083As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 187709As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 192627As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 481485As productuspto-grants-1998_08

HRID 481486As reactantuspto-grants-1998_08

HRID 481491As reactantuspto-grants-1998_08

Compound notes

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