Methyl 4-butyl-8-cyano-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate

HCID 21086202
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Basic information

Standard SMILES
CCCCN1CCOc2c(C#N)cc(C(=O)OC)cc21
InChIKey
BLLYJRXODAXQPZ-UHFFFAOYSA-N
Molecular formula
C15H18N2O3
Average molar mass
274.31 g/mol

Names & identifiers

Preferred name
Methyl 4-butyl-8-cyano-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
IUPAC
methyl 4-butyl-8-cyano-2,3-dihydro-1,4-benzoxazine-6-carboxylate

Names & synonyms

SCHEMBL3350535BLLYJRXODAXQPZ-UHFFFAOYSA-NMethyl 4-butyl-8-cyano-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate

Database identifiers

PubChem CID
21086202

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
62.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
20

Related reactions

6 records
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Compound notes

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