CCOC(=O)C1(CCCNC1=O)Cl
CAS: 408325-57-5
Nom: ethyl 3-chloro-2-oxopiperidine-3-carboxylate
SMILES: CCOC(=O)C1(CCCNC1=O)Cl

Molecular Processing

Molecular formula
C8H12ClNO3
Molecular weight
205.64
Exact mass
205.0506
XLogP
0.44
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
47.46

Supplementary Information

InChIKey: NOXJSLWFZVKDQE-UHFFFAOYSA-N
Synonymes
ethyl 3-chloro-2-oxopiperidine-3-carboxylate3-Chloro-3-carbethoxy-2-piperidone408325-57-5SCHEMBL156753DA-34099Ethyl 3-chloro-2-oxo-3-piperidinecarboxylate #
Voir la source →
Impliqué dans 4 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→