(1aS,7bS)-2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile

HCID 9837089

Grundinformationen

Standard-SMILES
CC1(C)Oc2ccc(C#N)cc2[C@@H]2O[C@@H]21
InChIKey
HCYIWPLDKSWKGY-QWRGUYRKSA-N
Summenformel
C12H11NO2
Durchschnittliche Molmasse
201,22 g/mol
Monoisotopische Masse
201,07897859

Namen und Bezeichner

Bevorzugter Name
(1aS,7bS)-2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile
IUPAC
(1aS,7bS)-2,2-dimethyl-1a,7b-dihydrooxireno[2,3-c]chromene-6-carbonitrile

Namen und Synonyme

114926-02-2(1aS,7bS)-2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrileSCHEMBL482249HCYIWPLDKSWKGY-QWRGUYRKSA-NCS-0022460D72542(1aS-cis)-1a,7b-dihydro-2,2-dimethyl-2H-oxireno-[c][1]benzopyran-6-carbonitrile(3S,4S)-3,4-epoxy-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran-6-carbonitrile(S, S)-2,2-dimethyl-1a,7b-dihydro-2H-1,3-dioxa-cyclopropa[a]naphthalene-6-carbonitrile(S,S)-2,2-dimethyl-1a,7 b-dihydro-2H-1,3-dioxa-cyclopropa[a]naphthalene-6-carbonitrile(S,S)-2,2-Dimethyl-1a,7b-dihydro-2H-1,3-dioxa-cyclopropa[a]naphthalene-6-carbonitrile(2S,4S)-5,5-dimethyl-3,6-dioxatricyclo[5.4.0.0?,?]undeca-1(11),7,9-triene-10-carbonitrile

Datenbank-Bezeichner

PubChem CID
9837089
Nikkaji
J734.933E

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,5
Polarare Oberfläche (TPSA)
45,6 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
0
Schwere Atome
15

Zugehörige Reaktionen

23

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(1aS,7bS)-2,2-Dimethyl-1a,7b-dihydro-2H-oxireno[2,3-c]chromene-6-carbonitrile (HCID 9837089)|Huagongshe