CAS: 202209-74-3
이름: ethyl 4-oxo-5,6,7,8-tetrahydro-1H-cyclohepta[b]pyrrole-3-carboxylate
SMILES:
CCOC(=O)C1=CNC2=C1C(=O)CCCC2Molecular Processing
Molecular formula
C12H15NO3
Molecular weight
221.26
Exact mass
221.1052
XLogP
2.1
TPSA
59.16
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
58.63
Supplementary Information
InChIKey: PQLOIWYFDWGKSQ-UHFFFAOYSA-N
동의어
4-oxo-1,4,5,6,7,8-hexahydro-cyclohepta(b)pyrrole-3-carboxylic acid ethyl ester4-oxo-1,4,5,6,7,8-hexahydro-cyclohepta[b]pyrrole-3-carboxylic acid ethyl ester4-oxo-1,4,5,6,7,8-hexahydrocyclohepta(b)pyrrole-3-carboxylic acid ethyl ester4-oxo-1,4,5,6,7,8-hexahydrocyclohepta[b]pyrrole-3-carboxylic acid ethyl ester202209-74-3SCHEMBL6305765PQLOIWYFDWGKSQ-UHFFFAOYSA-NDA-34693ethyl 4-oxo-1,4,5,6,7,8-hexahydro-cyclohepta[b]pyrrole-3-carboxylateETHYL 4-OXO-1,4,5,6,7,8-HEXAHYDROCYCLOHEPTA[B]PYRROLE-3-CARBOXYLATE
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