2,5-bis(thiophen-2-ylmethylidene)cyclopentan-1-one

C15H12OS2 — CID 2806572

IUPAC2,5-bis(thiophen-2-ylmethylidene)cyclopentan-1-one
SMILESO=C1C(=Cc2cccs2)CCC1=Cc1cccs1
InChIInChI=1S/C15H12OS2/c16-15-11(9-13-3-1-7-17-13)5-6-12(15)10-14-4-2-8-18-14/h1-4,7-10H,5-6H2
InChIKeyKPFZCKDPBMGECB-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.64
Rot. Bonds2

About 2,5-bis(thiophen-2-ylmethylidene)cyclopentan-1-one

2,5-bis(thiophen-2-ylmethylidene)cyclopentan-1-one (PubChem CID 2806572) has the molecular formula C15H12OS2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2,5-bis(thiophen-2-ylmethylidene)cyclopentan-1-one.

Molecular Properties

Compound Name2,5-bis(thiophen-2-ylmethylidene)cyclopentan-1-one
PubChem CID2806572
Molecular FormulaC15H12OS2
Molecular Weight272.39 g/mol
Exact Mass272.03
IUPAC Name2,5-bis(thiophen-2-ylmethylidene)cyclopentan-1-one
SMILESO=C1C(=Cc2cccs2)CCC1=Cc1cccs1
InChIInChI=1S/C15H12OS2/c16-15-11(9-13-3-1-7-17-13)5-6-12(15)10-14-4-2-8-18-14/h1-4,7-10H,5-6H2
InChIKeyKPFZCKDPBMGECB-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(thiophen-2-ylmethylidene)cyclopentan-1-one?
The IUPAC name of 2,5-bis(thiophen-2-ylmethylidene)cyclopentan-1-one (CID 2806572) is 2,5-bis(thiophen-2-ylmethylidene)cyclopentan-1-one.
What is the SMILES notation for 2,5-bis(thiophen-2-ylmethylidene)cyclopentan-1-one?
The canonical SMILES for 2,5-bis(thiophen-2-ylmethylidene)cyclopentan-1-one is O=C1C(=Cc2cccs2)CCC1=Cc1cccs1.
What is the InChIKey of 2,5-bis(thiophen-2-ylmethylidene)cyclopentan-1-one?
The InChIKey is KPFZCKDPBMGECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12OS2/c16-15-11(9-13-3-1-7-17-13)5-6-12(15)10-14-4-2-8-18-14/h1-4,7-10H,5-6H2.
What are the key properties of 2,5-bis(thiophen-2-ylmethylidene)cyclopentan-1-one?
2,5-bis(thiophen-2-ylmethylidene)cyclopentan-1-one has a molecular weight of 272.39 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(thiophen-2-ylmethylidene)cyclopentan-1-one is sourced from PubChem (CID 2806572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).