A1H97
- Molecular formula
- C11 H15 N3 O
- Molecular weight (g/mol)
- 205.26
- Classification
- LIKELY_SYNTHETIC
Related PDB structures · 1
Names & identifiers
- IUPAC name
- (5~{R})-7-pyrazin-2-yl-2-oxa-7-azaspiro[4.4]nonane
- SMILES
- c1cnc(cn1)N2CCC3(C2)CCOC3
- Isomeric SMILES
- c1cnc(cn1)N2CC[C@]3(C2)CCOC3
- InChI
- InChI=1S/C11H15N3O/c1-5-14(10-7-12-3-4-13-10)8-11(1)2-6-15-9-11/h3-4,7H,1-2,5-6,8-9H2/t11-/m1/s1
- InChIKey
- ITTBXBSSJHVWJS-LLVKDONJSA-N
Chemical & physical properties
- HBA
- 4
- HBD
- 0
- TPSA (Ų)
- 38.25
- cLogP
- 1.09
- Chiral atoms
- 1
- Molar refractivity
- 56.73
- Rings
- 3
- Aromatic rings
- 1
- Fraction Csp³
- 0.64
- Formal charge
- 0
Calculated properties
QED0.688
NPScore-0.220305707
SAScore7.363561479