2-[2-(dimethylhydrazinylidene)ethylidene]-5-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one

C17H17F3N2O — CID 3564339

IUPAC2-[2-(dimethylhydrazinylidene)ethylidene]-5-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one
SMILESCN(C)N=CC=C1CCC(=Cc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C17H17F3N2O/c1-22(2)21-10-9-13-5-6-14(16(13)23)11-12-3-7-15(8-4-12)17(18,19)20/h3-4,7-11H,5-6H2,1-2H3
InChIKeySQSIWEVAOYKMCP-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.93
Rot. Bonds3

About 2-[2-(dimethylhydrazinylidene)ethylidene]-5-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one

2-[2-(dimethylhydrazinylidene)ethylidene]-5-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one (PubChem CID 3564339) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-[2-(dimethylhydrazinylidene)ethylidene]-5-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-(dimethylhydrazinylidene)ethylidene]-5-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one
PubChem CID3564339
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name2-[2-(dimethylhydrazinylidene)ethylidene]-5-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one
SMILESCN(C)N=CC=C1CCC(=Cc2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C17H17F3N2O/c1-22(2)21-10-9-13-5-6-14(16(13)23)11-12-3-7-15(8-4-12)17(18,19)20/h3-4,7-11H,5-6H2,1-2H3
InChIKeySQSIWEVAOYKMCP-UHFFFAOYSA-N
XLogP3.93
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.93
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylhydrazinylidene)ethylidene]-5-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one?
The IUPAC name of 2-[2-(dimethylhydrazinylidene)ethylidene]-5-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one (CID 3564339) is 2-[2-(dimethylhydrazinylidene)ethylidene]-5-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one.
What is the SMILES notation for 2-[2-(dimethylhydrazinylidene)ethylidene]-5-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one?
The canonical SMILES for 2-[2-(dimethylhydrazinylidene)ethylidene]-5-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one is CN(C)N=CC=C1CCC(=Cc2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of 2-[2-(dimethylhydrazinylidene)ethylidene]-5-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one?
The InChIKey is SQSIWEVAOYKMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c1-22(2)21-10-9-13-5-6-14(16(13)23)11-12-3-7-15(8-4-12)17(18,19)20/h3-4,7-11H,5-6H2,1-2H3.
What are the key properties of 2-[2-(dimethylhydrazinylidene)ethylidene]-5-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one?
2-[2-(dimethylhydrazinylidene)ethylidene]-5-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one has a molecular weight of 322.33 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylhydrazinylidene)ethylidene]-5-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one is sourced from PubChem (CID 3564339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).