(5E)-5-benzylidene-2-methyl-2-(3-methylphenyl)cyclopentan-1-one

C20H20O — CID 59990618

IUPAC(5E)-5-benzylidene-2-methyl-2-(3-methylphenyl)cyclopentan-1-one
SMILESCc1cccc(C2(C)CC/C(=C\c3ccccc3)C2=O)c1
InChIInChI=1S/C20H20O/c1-15-7-6-10-18(13-15)20(2)12-11-17(19(20)21)14-16-8-4-3-5-9-16/h3-10,13-14H,11-12H2,1-2H3/b17-14+
InChIKeyUENIDLZWRSDCTC-SAPNQHFASA-N
MW276.38 g/mol
LogP4.70
Rot. Bonds2

About (5E)-5-benzylidene-2-methyl-2-(3-methylphenyl)cyclopentan-1-one

(5E)-5-benzylidene-2-methyl-2-(3-methylphenyl)cyclopentan-1-one (PubChem CID 59990618) has the molecular formula C20H20O and a molecular weight of 276.38 g/mol. Its IUPAC name is (5E)-5-benzylidene-2-methyl-2-(3-methylphenyl)cyclopentan-1-one.

Molecular Properties

Compound Name(5E)-5-benzylidene-2-methyl-2-(3-methylphenyl)cyclopentan-1-one
PubChem CID59990618
Molecular FormulaC20H20O
Molecular Weight276.38 g/mol
Exact Mass276.15
IUPAC Name(5E)-5-benzylidene-2-methyl-2-(3-methylphenyl)cyclopentan-1-one
SMILESCc1cccc(C2(C)CC/C(=C\c3ccccc3)C2=O)c1
InChIInChI=1S/C20H20O/c1-15-7-6-10-18(13-15)20(2)12-11-17(19(20)21)14-16-8-4-3-5-9-16/h3-10,13-14H,11-12H2,1-2H3/b17-14+
InChIKeyUENIDLZWRSDCTC-SAPNQHFASA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-benzylidene-2-methyl-2-(3-methylphenyl)cyclopentan-1-one?
The IUPAC name of (5E)-5-benzylidene-2-methyl-2-(3-methylphenyl)cyclopentan-1-one (CID 59990618) is (5E)-5-benzylidene-2-methyl-2-(3-methylphenyl)cyclopentan-1-one.
What is the SMILES notation for (5E)-5-benzylidene-2-methyl-2-(3-methylphenyl)cyclopentan-1-one?
The canonical SMILES for (5E)-5-benzylidene-2-methyl-2-(3-methylphenyl)cyclopentan-1-one is Cc1cccc(C2(C)CC/C(=C\c3ccccc3)C2=O)c1.
What is the InChIKey of (5E)-5-benzylidene-2-methyl-2-(3-methylphenyl)cyclopentan-1-one?
The InChIKey is UENIDLZWRSDCTC-SAPNQHFASA-N. The full InChI is InChI=1S/C20H20O/c1-15-7-6-10-18(13-15)20(2)12-11-17(19(20)21)14-16-8-4-3-5-9-16/h3-10,13-14H,11-12H2,1-2H3/b17-14+.
What are the key properties of (5E)-5-benzylidene-2-methyl-2-(3-methylphenyl)cyclopentan-1-one?
(5E)-5-benzylidene-2-methyl-2-(3-methylphenyl)cyclopentan-1-one has a molecular weight of 276.38 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-benzylidene-2-methyl-2-(3-methylphenyl)cyclopentan-1-one is sourced from PubChem (CID 59990618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).