1-(4-Nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione

HCID 14872629
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Basic information

Standard SMILES
O=C1NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC1C2
InChIKey
ZIXOPWUAXZORNK-UHFFFAOYSA-N
Molecular formula
C12H10N2O4
Average molar mass
246.22 g/mol

Names & identifiers

Preferred name
1-(4-Nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione
IUPAC
1-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione

Names & synonyms

SCHEMBL10350305ZIXOPWUAXZORNK-UHFFFAOYSA-N1-(4-nitropenyl)-3-azabicyclo[3.1.1]heptane-2,4 -dione1-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione

Database identifiers

PubChem CID
14872629

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
92 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
18

Related reactions

36 records
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Linked notes

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