6-Nitromethyl-4-oxo-1,4,5,6,7,8-hexahydro-cyclohepta[b]pyrrole-3-carboxylic acid ethyl ester

HCID 69801762
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Basic information

Standard SMILES
CCOC(=O)c1c[nH]c2c1C(=O)CC(C[N+](=O)[O-])CC2
InChIKey
ULYMREBYIJBBRG-UHFFFAOYSA-N
Molecular formula
C13H16N2O5
Average molar mass
280.28 g/mol

Names & identifiers

Preferred name
6-Nitromethyl-4-oxo-1,4,5,6,7,8-hexahydro-cyclohepta[b]pyrrole-3-carboxylic acid ethyl ester
IUPAC
ethyl 6-(nitromethyl)-4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxylate

Names & synonyms

SCHEMBL6498125ULYMREBYIJBBRG-UHFFFAOYSA-N6-nitromethyl-4-oxo-1,4,5,6,7,8-hexahydro-cyclohepta[b]pyrrole-3-carboxylic acid ethyl ester

Database identifiers

PubChem CID
69801762

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
105 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
20

Related reactions

1 records
New reaction record

Compound notes

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6-Nitromethyl-4-oxo-1,4,5,6,7,8-hexahydro-cyclohepta[b]pyrrole-3-carboxylic acid ethyl ester (HCID 69801762)｜Huagongshe