5(2-Methylspiro[4H-3,1-benzoxazine-4,1'-cyclopentane]-6-yl)-4 methyl-2-thiophenecarbonitrile

HCID 23435596

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

Related reactions

4 records

Compound notes

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