(2-Oxa-3-azabicyclo[2.2.1]hept-5-en-3-yl)-phenylmethanone

HCID 328016
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Basic information

CAS
59438-62-9
Standard SMILES
O=C(c1ccccc1)N1OC2C=CC1C2
InChIKey
RGQWWSKLLHCKFI-UHFFFAOYSA-N
Molecular formula
C12H11NO2
Average molar mass
201.22 g/mol
Monoisotopic mass
201.07897859

Names & identifiers

Preferred name
(2-Oxa-3-azabicyclo[2.2.1]hept-5-en-3-yl)-phenylmethanone
IUPAC
2-oxa-3-azabicyclo[2.2.1]hept-5-en-3-yl(phenyl)methanone

Names & synonyms

59438-62-9(2-Oxa-3-azabicyclo[2.2.1]hept-5-en-3-yl)-phenylmethanoneNSC305332SCHEMBL5602121DTXSID90316627RGQWWSKLLHCKFI-UHFFFAOYSA-NNSC-305332(2-Oxa-3-azabicyclo[2.2.1]hept-5-en-3-yl)(phenyl)methanone

Database identifiers

CAS
59438-62-9
PubChem CID
328016
DTXSID
DTXSID90316627
Nikkaji
J718.894C

Properties

Computed structural propertiesFilling in

XLogP
1.9
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
15

Related reactions

3 records
New reaction record

Compound notes

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