C=CCC1(CCOC2(C1)CCCC2)N3C=CC=N3
CAS: 1401031-32-0
Name: 1-(9-prop-2-enyl-6-oxaspiro[4.5]decan-9-yl)pyrazole
SMILES: C=CCC1(CCOC2(C1)CCCC2)N3C=CC=N3

Molecular Processing

Molecular formula
C15H22N2O
Molecular weight
246.35
Exact mass
246.1732
XLogP
3.28
TPSA
27.05
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
71.4

Supplementary Information

InChIKey: XDODSIGRYDQPKD-UHFFFAOYSA-N
Synonyme
SCHEMBL12541840XDODSIGRYDQPKD-UHFFFAOYSA-NDB-0853351-[9-(prop-2-en-1-yl)-6-oxaspiro[4.5]decan-9-yl]-1H-pyrazole1401031-32-0
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