CID 21765518

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Basic information

CAS: 148217-23-6
Standard SMILES: CC(=O)O[C@H]1C[C@H]2C[C@H](C#N)O[C@H]2C1
InChIKey: FCQIYUSARYMMDQ-QEYWKRMJSA-N
Molecular formula: C10H13NO3
Average molar mass: 195.21 g/mol

Names & identifiers

Preferred name: CID 21765518
IUPAC: [(2R,3aS,5S,6aS)-2-cyano-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-yl] acetate
English name: 2H-Cyclopenta[b]furan-2-carbonitrile,5-(acetyloxy)hexahydro-,[2R-(2-alpha-,3a-alpha-,5-bta-,6a-alpha-)]-(9CI)
Molecular formula: C10H13NO3
Molecular weight: 195.22

Names & synonyms

148217-23-6[(2R,3aS,5S,6aS)-2-cyano-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-5-yl] acetate2H-Cyclopenta[b]furan-2-carbonitrile,5-(acetyloxy)hexahydro-,[2R-(2-alpha-,3a-alpha-,5-bta-,6a-alpha2H-Cyclopenta[b]furan-2-carbonitrile, 5-(acetyloxy)hexahydro-, [2R-(2α,3aα,5β,6aα)]- (9CI)2H-Cyclopenta[b]furan-2-carbonitrile,5-(acetyloxy)hexahydro-,[2R-(2-alpha-,3a-alpha-,5-bta-,6a-alpha-)]-(9CI)

Database identifiers

CAS: 148217-23-6

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 59.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 293

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Compound notes

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