2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxylic acid prop-2-ynyl amide

HCID 86594171
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Basic information

Standard SMILES
C#CCNC(=O)c1ccc2c(c1)CCNCC2
InChIKey
IQWWVHFYVBHAJE-UHFFFAOYSA-N
Molecular formula
C14H16N2O
Average molar mass
228.29 g/mol

Names & identifiers

Preferred name
2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxylic acid prop-2-ynyl amide
IUPAC
N-prop-2-ynyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide

Names & synonyms

SCHEMBL4773897IQWWVHFYVBHAJE-UHFFFAOYSA-N2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxylic acid prop-2-ynyl amide

Database identifiers

PubChem CID
86594171

Properties

Computed structural properties

XLogP
1.2
Topological polar surface area
41.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
17

Related reactions

1 records
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Linked notes

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