(2E,5E)-2,5-dibenzylidenecyclopentan-1-one

C19H16O — CID 5377539

IUPAC(2E,5E)-2,5-dibenzylidenecyclopentan-1-one
SMILESO=C1/C(=C/c2ccccc2)CC/C1=C\c1ccccc1
InChIInChI=1S/C19H16O/c20-19-17(13-15-7-3-1-4-8-15)11-12-18(19)14-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2/b17-13+,18-14+
InChIKeyCVTOCKKPVXJIJK-HBKJEHTGSA-N
MW260.34 g/mol
LogP4.52
Rot. Bonds2

About (2E,5E)-2,5-dibenzylidenecyclopentan-1-one

(2E,5E)-2,5-dibenzylidenecyclopentan-1-one (PubChem CID 5377539) has the molecular formula C19H16O and a molecular weight of 260.34 g/mol. Its IUPAC name is (2E,5E)-2,5-dibenzylidenecyclopentan-1-one.

Molecular Properties

Compound Name(2E,5E)-2,5-dibenzylidenecyclopentan-1-one
PubChem CID5377539
Molecular FormulaC19H16O
Molecular Weight260.34 g/mol
Exact Mass260.12
IUPAC Name(2E,5E)-2,5-dibenzylidenecyclopentan-1-one
SMILESO=C1/C(=C/c2ccccc2)CC/C1=C\c1ccccc1
InChIInChI=1S/C19H16O/c20-19-17(13-15-7-3-1-4-8-15)11-12-18(19)14-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2/b17-13+,18-14+
InChIKeyCVTOCKKPVXJIJK-HBKJEHTGSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2E,5E)-2,5-dibenzylidenecyclopentan-1-one?
The IUPAC name of (2E,5E)-2,5-dibenzylidenecyclopentan-1-one (CID 5377539) is (2E,5E)-2,5-dibenzylidenecyclopentan-1-one.
What is the SMILES notation for (2E,5E)-2,5-dibenzylidenecyclopentan-1-one?
The canonical SMILES for (2E,5E)-2,5-dibenzylidenecyclopentan-1-one is O=C1/C(=C/c2ccccc2)CC/C1=C\c1ccccc1.
What is the InChIKey of (2E,5E)-2,5-dibenzylidenecyclopentan-1-one?
The InChIKey is CVTOCKKPVXJIJK-HBKJEHTGSA-N. The full InChI is InChI=1S/C19H16O/c20-19-17(13-15-7-3-1-4-8-15)11-12-18(19)14-16-9-5-2-6-10-16/h1-10,13-14H,11-12H2/b17-13+,18-14+.
What are the key properties of (2E,5E)-2,5-dibenzylidenecyclopentan-1-one?
(2E,5E)-2,5-dibenzylidenecyclopentan-1-one has a molecular weight of 260.34 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-2,5-dibenzylidenecyclopentan-1-one is sourced from PubChem (CID 5377539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).