KEGG   COMPOUND: C17730
Entry
C17730                      Compound                               
Name
Piperidione;
3,3-Diethyl-2,4-dioxopiperidine
Formula
C9H15NO2
Exact mass
169.1103
Mol weight
169.2209
Structure
Other DBs
CAS: 77-03-2
PubChem: 96024060
ChEBI: 81302
NIKKAJI: J4.192K
LinkDB
KCF data

ATOM        12
            1   C1z C    19.3200  -17.9900
            2   C5x C    19.3200  -19.3900
            3   N1x N    20.5324  -20.0900
            4   C1x C    21.7449  -19.3900
            5   C1x C    21.7449  -17.9900
            6   C5x C    20.5324  -17.2900
            7   O5x O    20.5324  -15.8902
            8   O5x O    18.1076  -20.0900
            9   C1b C    18.1076  -17.2900
            10  C1b C    19.3200  -16.5900
            11  C1a C    18.1076  -15.8899
            12  C1a C    16.9121  -17.9804
BOND        12
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 2
            8     2   8 2
            9     1   9 1
            10    1  10 1
            11   10  11 1
            12    9  12 1

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