C=CCC1CCCCC2=NOC(=O)N12
Name: 5-prop-2-enyl-6,7,8,9-tetrahydro-5H-[1,2,4]oxadiazolo[4,3-a]azepin-3-one
SMILES: C=CCC1CCCCC2=NOC(=O)N12

Molecular Processing

Molecular formula
C10H14N2O2
Molecular weight
194.23
Exact mass
194.1055
XLogP
1.68
TPSA
48.03
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
52.17

Supplementary Information

InChIKey: BKYXBXAEYYOLCK-UHFFFAOYSA-N
Synonyme
SCHEMBL6801774BKYXBXAEYYOLCK-UHFFFAOYSA-N6,7,8,9-tetrahydro-5-(2-propenyl)-3H,5H-[1,2,4]oxadiazolo[4,3-a]azepin-3-one
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