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1-[2-(3-Methyl-2-nitrophenoxy)-ethyl]-pyrrolidine

HCID 11601260
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Basic information

Standard SMILES
Cc1cccc(OCCN2CCCC2)c1[N+](=O)[O-]
InChIKey
PRFBAWMDFNJLEO-UHFFFAOYSA-N
Molecular formula
C13H18N2O3
Average molar mass
250.29 g/mol

Names & identifiers

Preferred name
1-[2-(3-Methyl-2-nitrophenoxy)-ethyl]-pyrrolidine
IUPAC
1-[2-(3-methyl-2-nitrophenoxy)ethyl]pyrrolidine

Names & synonyms

SCHEMBL5242569PRFBAWMDFNJLEO-UHFFFAOYSA-N1-[2-(3-Methyl-2-nitrophenoxy)-ethyl]-pyrrolidine

Database identifiers

PubChem CID
11601260

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
58.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
274

Related reactions

3 records
New reaction record
HRID 6949 reaction equation
HRID 6949As productuspto-grants-2006_08
HRID 6950 reaction equation
HRID 6950As reactantuspto-grants-2006_08
HRID 285440 reaction equation
HRID 285440As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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