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

HCID 14872630

Basic information

Standard SMILES
CC(C)CN1C(=O)C2CC(c3ccc([N+](=O)[O-])cc3)(C2)C1=O
InChIKey
MEQDDINDERSLJH-UHFFFAOYSA-N
Molecular formula
C16H18N2O4
Average molar mass
302.32 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL10350802MEQDDINDERSLJH-UHFFFAOYSA-N3-isobutyl-1-(4-nitrophenyl)-3-azabicyclo[3.1.1]-heptane-2,4-dione3-isobutyl-1-(4-nitrophenyl)-3-azabicyclo[3.1.1]heptane-2,4-dione

Database identifiers

PubChem CID
14872630

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
83.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
22

Related reactions

8 records

Linked notes

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