3-(3-cyclobutylidene-3-phenylprop-1-ynyl)thiophene

C17H14S — CID 46915453

IUPAC3-(3-cyclobutylidene-3-phenylprop-1-ynyl)thiophene
SMILESC(#Cc1ccsc1)C(=C1CCC1)c1ccccc1
InChIInChI=1S/C17H14S/c1-2-5-15(6-3-1)17(16-7-4-8-16)10-9-14-11-12-18-13-14/h1-3,5-6,11-13H,4,7-8H2
InChIKeyYNQDLOXOEKIAFH-UHFFFAOYSA-N
MW250.37 g/mol
LogP4.74
Rot. Bonds1

About 3-(3-cyclobutylidene-3-phenylprop-1-ynyl)thiophene

3-(3-cyclobutylidene-3-phenylprop-1-ynyl)thiophene (PubChem CID 46915453) has the molecular formula C17H14S and a molecular weight of 250.37 g/mol. Its IUPAC name is 3-(3-cyclobutylidene-3-phenylprop-1-ynyl)thiophene.

Molecular Properties

Compound Name3-(3-cyclobutylidene-3-phenylprop-1-ynyl)thiophene
PubChem CID46915453
Molecular FormulaC17H14S
Molecular Weight250.37 g/mol
Exact Mass250.08
IUPAC Name3-(3-cyclobutylidene-3-phenylprop-1-ynyl)thiophene
SMILESC(#Cc1ccsc1)C(=C1CCC1)c1ccccc1
InChIInChI=1S/C17H14S/c1-2-5-15(6-3-1)17(16-7-4-8-16)10-9-14-11-12-18-13-14/h1-3,5-6,11-13H,4,7-8H2
InChIKeyYNQDLOXOEKIAFH-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutylidene-3-phenylprop-1-ynyl)thiophene?
The IUPAC name of 3-(3-cyclobutylidene-3-phenylprop-1-ynyl)thiophene (CID 46915453) is 3-(3-cyclobutylidene-3-phenylprop-1-ynyl)thiophene.
What is the SMILES notation for 3-(3-cyclobutylidene-3-phenylprop-1-ynyl)thiophene?
The canonical SMILES for 3-(3-cyclobutylidene-3-phenylprop-1-ynyl)thiophene is C(#Cc1ccsc1)C(=C1CCC1)c1ccccc1.
What is the InChIKey of 3-(3-cyclobutylidene-3-phenylprop-1-ynyl)thiophene?
The InChIKey is YNQDLOXOEKIAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14S/c1-2-5-15(6-3-1)17(16-7-4-8-16)10-9-14-11-12-18-13-14/h1-3,5-6,11-13H,4,7-8H2.
What are the key properties of 3-(3-cyclobutylidene-3-phenylprop-1-ynyl)thiophene?
3-(3-cyclobutylidene-3-phenylprop-1-ynyl)thiophene has a molecular weight of 250.37 g/mol, XLogP of 4.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutylidene-3-phenylprop-1-ynyl)thiophene is sourced from PubChem (CID 46915453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).