1-Adamantan-1-yl-3-pyridin-3-yl-propenone

HCID 5756428
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Basic information

Standard SMILES
O=C(/C=C/c1cccnc1)C12CC3CC(CC(C3)C1)C2
InChIKey
KGUFQIMIYFOJOF-ONEGZZNKSA-N
Molecular formula
C18H21NO
Average molar mass
267.4 g/mol

Names & identifiers

Preferred name
1-Adamantan-1-yl-3-pyridin-3-yl-propenone
IUPAC
(E)-1-(1-adamantyl)-3-pyridin-3-ylprop-2-en-1-one

Names & synonyms

1-Adamantan-1-yl-3-pyridin-3-yl-propenoneGNF-Pf-4417CHEMBL599299SCHEMBL8077622KGUFQIMIYFOJOF-ONEGZZNKSA-NAG-664/340670031-(1-adamantyl)-3-(3-pyridinyl)-2-propen-1-onetrans-1-(1-Adamantyl)-3-(3-pyridyl)-2-propen-1-one

Database identifiers

PubChem CID
5756428
ChEMBL
CHEMBL599299

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
30 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
20

Related reactions

1 records
New reaction record

Compound notes

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