2-[(1S,5R)-7-phenyl-6-bicyclo[3.2.0]hept-6-enyl]thiophene

C17H16S — CID 134943035

IUPAC2-[(1S,5R)-7-phenyl-6-bicyclo[3.2.0]hept-6-enyl]thiophene
SMILESc1ccc(C2=C(c3cccs3)[C@@H]3CCC[C@H]23)cc1
InChIInChI=1S/C17H16S/c1-2-6-12(7-3-1)16-13-8-4-9-14(13)17(16)15-10-5-11-18-15/h1-3,5-7,10-11,13-14H,4,8-9H2/t13-,14+/m0/s1
InChIKeyGTOBLINKAVAWJR-UONOGXRCSA-N
MW252.38 g/mol
LogP5.09
Rot. Bonds2

About 2-[(1S,5R)-7-phenyl-6-bicyclo[3.2.0]hept-6-enyl]thiophene

2-[(1S,5R)-7-phenyl-6-bicyclo[3.2.0]hept-6-enyl]thiophene (PubChem CID 134943035) has the molecular formula C17H16S and a molecular weight of 252.38 g/mol. Its IUPAC name is 2-[(1S,5R)-7-phenyl-6-bicyclo[3.2.0]hept-6-enyl]thiophene.

Molecular Properties

Compound Name2-[(1S,5R)-7-phenyl-6-bicyclo[3.2.0]hept-6-enyl]thiophene
PubChem CID134943035
Molecular FormulaC17H16S
Molecular Weight252.38 g/mol
Exact Mass252.10
IUPAC Name2-[(1S,5R)-7-phenyl-6-bicyclo[3.2.0]hept-6-enyl]thiophene
SMILESc1ccc(C2=C(c3cccs3)[C@@H]3CCC[C@H]23)cc1
InChIInChI=1S/C17H16S/c1-2-6-12(7-3-1)16-13-8-4-9-14(13)17(16)15-10-5-11-18-15/h1-3,5-7,10-11,13-14H,4,8-9H2/t13-,14+/m0/s1
InChIKeyGTOBLINKAVAWJR-UONOGXRCSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.38
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-7-phenyl-6-bicyclo[3.2.0]hept-6-enyl]thiophene?
The IUPAC name of 2-[(1S,5R)-7-phenyl-6-bicyclo[3.2.0]hept-6-enyl]thiophene (CID 134943035) is 2-[(1S,5R)-7-phenyl-6-bicyclo[3.2.0]hept-6-enyl]thiophene.
What is the SMILES notation for 2-[(1S,5R)-7-phenyl-6-bicyclo[3.2.0]hept-6-enyl]thiophene?
The canonical SMILES for 2-[(1S,5R)-7-phenyl-6-bicyclo[3.2.0]hept-6-enyl]thiophene is c1ccc(C2=C(c3cccs3)[C@@H]3CCC[C@H]23)cc1.
What is the InChIKey of 2-[(1S,5R)-7-phenyl-6-bicyclo[3.2.0]hept-6-enyl]thiophene?
The InChIKey is GTOBLINKAVAWJR-UONOGXRCSA-N. The full InChI is InChI=1S/C17H16S/c1-2-6-12(7-3-1)16-13-8-4-9-14(13)17(16)15-10-5-11-18-15/h1-3,5-7,10-11,13-14H,4,8-9H2/t13-,14+/m0/s1.
What are the key properties of 2-[(1S,5R)-7-phenyl-6-bicyclo[3.2.0]hept-6-enyl]thiophene?
2-[(1S,5R)-7-phenyl-6-bicyclo[3.2.0]hept-6-enyl]thiophene has a molecular weight of 252.38 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-7-phenyl-6-bicyclo[3.2.0]hept-6-enyl]thiophene is sourced from PubChem (CID 134943035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).