3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(o-nitrobenzoyl)-

HCID 93604

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Basic information

CAS: 57269-22-4
Standard SMILES: CN1CC2CCN(C(=O)c3ccccc3[N+](=O)[O-])C1C2
InChIKey: GGYNZODWRZBHDV-UHFFFAOYSA-N
Molecular formula: C14H17N3O3
Average molar mass: 275.3 g/mol
Monoisotopic mass: 275.12699141

Names & identifiers

Preferred name: 3,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(o-nitrobenzoyl)-
IUPAC: (7-methyl-2,7-diazabicyclo[3.2.1]octan-2-yl)-(2-nitrophenyl)methanone
English name: 8-Methyl-3-(o-nitrobenzoyl)-3,8-diazabicyclo[3.2.1]octane
Molecular formula: C14H17N3O3
Molecular weight: 275.3

Names & synonyms

8-Methyl-3-(o-nitrobenzoyl)-3,8-diazabicyclo(3.2.1)octane57269-22-43,8-Diazabicyclo(3.2.1)octane, 8-methyl-3-(o-nitrobenzoyl)-RefChem:272728DTXSID70972760(7-Methyl-2,7-diazabicyclo[3.2.1]octan-2-yl)(2-nitrophenyl)methanone8-Methyl-3-(o-nitrobenzoyl)-3,8-diazabicyclo[3.2.1]octaneMethanone, (8-methyl-3,8-diazabicyclo[3.2.1]oct-3-yl)(2-nitrophenyl)-

Database identifiers

CAS: 57269-22-4
PubChem CID: 93604
DTXSID: DTXSID70972760

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 69.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 20
Formal charge: 0
Complexity: 409

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