COMPOUND: C11118
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Entry
C11118 Compound
Name
N-Methyl-2-pyrrolidinone;
1-Methyl-2-pyrrolidinone;
N-Methylpyrrolidone
Formula
C5H9NO
Exact mass
99.0684
Mol weight
99.1311
Structure
Mol file
KCF file
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CAS:
872-50-4
PubChem:
13300
ChEBI:
7307
KNApSAcK:
C00039855
PDB-CCD:
MB3
[
PDBj
]
NIKKAJI:
J26.033I
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KCF data
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ATOM 7
1 C1x C 28.0557 -21.3202
2 N1y N 28.4827 -19.9871
3 C1x C 26.2121 -20.0021
4 C1x C 26.6562 -21.3296
5 O5x O 27.2485 -17.7693
6 C5x C 27.2578 -19.2895
7 C1a C 29.8241 -19.5710
BOND 7
1 3 4 1
2 4 1 1
3 6 5 2
4 1 2 1
5 2 6 1
6 6 3 1
7 2 7 1
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