1-formyl-3,4-dihydro-1H-isochromene-5-carbonitrile

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Basic information

Standard SMILES: N#Cc1cccc2c1CCOC2C=O
InChIKey: FLQFSJSFPZZBPV-UHFFFAOYSA-N
Molecular formula: C11H9NO2
Average molar mass: 187.19 g/mol

Names & identifiers

Preferred name: 1-formyl-3,4-dihydro-1H-isochromene-5-carbonitrile
IUPAC: 1-formyl-3,4-dihydro-1H-isochromene-5-carbonitrile

Names & synonyms

1-formyl-3,4-dihydro-1H-isochromene-5-carbonitrile1255207-72-7SCHEMBL296778FLQFSJSFPZZBPV-UHFFFAOYSA-NDA-134801-formyl-3,4-dihydro-1 H-isochromene-5-carbonitrile

Database identifiers

PubChem CID: 59568655

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 50.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 268

Related reactions

5 records

New reaction record

HRID 1187027As productuspto-grants-2014_03

HRID 1187135As reactantuspto-grants-2014_03

HRID 1474285As productuspto-grants-2015_04

HRID 1474392As reactantuspto-grants-2015_04

HRID 2173261As productuspto-grants-2015_06

Compound notes

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