1-(N-tert-butyloxycarbonyl-pyrrolidin-3-ylmethyl)-6-nitro-2,3-dihydroindole

HCID 10936945
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(CN2CCc3ccc([N+](=O)[O-])cc32)C1
InChIKey
BLQQXWILHAIWDC-UHFFFAOYSA-N
Molecular formula
C18H25N3O4
Average molar mass
347.4 g/mol
Monoisotopic mass
347.18450629

Names & identifiers

Preferred name
1-(N-tert-butyloxycarbonyl-pyrrolidin-3-ylmethyl)-6-nitro-2,3-dihydroindole
IUPAC
tert-butyl 3-[(6-nitro-2,3-dihydroindol-1-yl)methyl]pyrrolidine-1-carboxylate

Names & synonyms

SCHEMBL7804911BLQQXWILHAIWDC-UHFFFAOYSA-N1-(N-tert-butyloxycarbonyl-pyrrolidin-3-ylmethyl)-6-nitro-2,3-dihydroindole

Database identifiers

PubChem CID
10936945

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
78.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
25

Related reactions

2 records
New reaction record

Linked notes

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