Basic information
- Standard SMILES
CC1=Nc2ccc(-c3sc(C#N)cc3C)cc2C2(CCCC2)O1- InChIKey
FCVUJPLZDYLBLB-UHFFFAOYSA-N- Molecular formula
- C19H18N2OS
- Average molar mass
- 322.4 g/mol
- Monoisotopic mass
- 322.11398438
Names & identifiers
- Preferred name
- 5(2-Methylspiro[4H-3,1-benzoxazine-4,1'-cyclopentane]-6-yl)-4 methyl-2-thiophenecarbonitrile
- IUPAC
- 4-methyl-5-(2-methylspiro[3,1-benzoxazine-4,1'-cyclopentane]-6-yl)thiophene-2-carbonitrile
Names & synonyms
SCHEMBL7484171FCVUJPLZDYLBLB-UHFFFAOYSA-N5(2-Methylspiro[4H-3,1-benzoxazine-4,1'-cyclopentane]-6-yl)-4 methyl-2-thiophenecarbonitrile5-(2-Methylspiro[4H-3,1-benzoxazine-4,1'-cyclopentane]-6-yl)-4 methyl-2-thiophenecarbonitrile5-(2-Methylspiro[4H-3,1-benzoxazine-4,1'-cyclopentane]-6-yl)-4-methyl-2-thiophenecarbonitrile
Database identifiers
- PubChem CID
- 23435596
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 545
Related reactions
4 records
Compound notes
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