8-Dimethylamino-2,7,8,9-tetrahydro-6-oxa-2-azabenzo[cd]-azulene-5-carbonitrile

HCID 69737198
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Basic information

Standard SMILES
CN(C)C1CC2=CNC=C3C=C(C#N)OCC1=C32
InChIKey
YIBZFSYQVQTIKB-UHFFFAOYSA-N
Molecular formula
C14H15N3O
Average molar mass
241.29 g/mol

Names & identifiers

Preferred name
8-Dimethylamino-2,7,8,9-tetrahydro-6-oxa-2-azabenzo[cd]-azulene-5-carbonitrile
IUPAC
2-(dimethylamino)-11-oxa-6-azatricyclo[6.4.1.04,13]trideca-1(13),4,7,9-tetraene-10-carbonitrile

Names & synonyms

SCHEMBL6308280YIBZFSYQVQTIKB-UHFFFAOYSA-N8-Dimethylamino-2,7,8,9-tetrahydro-6-oxa-2-azabenzo[cd]-azulene-5-carbonitrile

Database identifiers

PubChem CID
69737198

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
48.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
18

Related reactions

3 records
New reaction record

Linked notes

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