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

C16H17FN2O — CID 3458692

IUPAC2-[2-(dimethylhydrazinylidene)ethylidene]-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one
SMILESCN(C)N=CC=C1CCC(=Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C16H17FN2O/c1-19(2)18-10-9-13-5-6-14(16(13)20)11-12-3-7-15(17)8-4-12/h3-4,7-11H,5-6H2,1-2H3
InChIKeyDCUADJXTCOGBMN-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.05
Rot. Bonds3

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

2-[2-(dimethylhydrazinylidene)ethylidene]-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one (PubChem CID 3458692) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-[2-(dimethylhydrazinylidene)ethylidene]-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-(dimethylhydrazinylidene)ethylidene]-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one
PubChem CID3458692
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name2-[2-(dimethylhydrazinylidene)ethylidene]-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one
SMILESCN(C)N=CC=C1CCC(=Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C16H17FN2O/c1-19(2)18-10-9-13-5-6-14(16(13)20)11-12-3-7-15(17)8-4-12/h3-4,7-11H,5-6H2,1-2H3
InChIKeyDCUADJXTCOGBMN-UHFFFAOYSA-N
XLogP3.05
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.05
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'}

Analyze 2-[2-(dimethylhydrazinylidene)ethylidene]-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E,6E)-2-[(3,4-difluorophenyl)methylidene]-6-[(2E)-2-(dimethylhydrazinylidene)ethylidene]cyclohexan-1-one
CID 9615209
(2E,5E)-2-[(4-bromophenyl)methylidene]-5-[(2E)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one
CID 9625246
(2E,5E)-2-[(2E)-2-(dimethylhydrazinylidene)ethylidene]-5-[(4-propan-2-ylphenyl)methylidene]cyclopentan-1-one
CID 9710760
(2E,5E)-2-[(3,4-difluorophenyl)methylidene]-5-[(2E)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one
CID 9654343
(2E,5E)-2-benzylidene-5-[(2E)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one
CID 9569077
2-[2-(Dimethylhydrazinylidene)ethylidene]-5-[[4-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one
CID 3564339
2-[(3,4-Difluorophenyl)methylidene]-5-[2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one
CID 4238177
(2E,5E)-2-[(3,4-difluorophenyl)methylidene]-5-[2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one
CID 9551903
(2E,5E)-2-[(2E)-2-(dimethylhydrazinylidene)ethylidene]-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one
CID 9621594
(2E,6E)-2-[(3,4-difluorophenyl)methylidene]-6-[2-(dimethylhydrazinylidene)ethylidene]cyclohexan-1-one
CID 16188886
(2E)-1-(2,4-difluorophenyl)-2-(dimethylhydrazinylidene)ethanone
CID 89154573
(Z,4E)-4-(dimethylhydrazinylidene)-1-phenylbut-2-en-1-one
CID 134890996

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylhydrazinylidene)ethylidene]-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one?
The IUPAC name of 2-[2-(dimethylhydrazinylidene)ethylidene]-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one (CID 3458692) is 2-[2-(dimethylhydrazinylidene)ethylidene]-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one.
What is the SMILES notation for 2-[2-(dimethylhydrazinylidene)ethylidene]-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one?
The canonical SMILES for 2-[2-(dimethylhydrazinylidene)ethylidene]-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one is CN(C)N=CC=C1CCC(=Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 2-[2-(dimethylhydrazinylidene)ethylidene]-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one?
The InChIKey is DCUADJXTCOGBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-19(2)18-10-9-13-5-6-14(16(13)20)11-12-3-7-15(17)8-4-12/h3-4,7-11H,5-6H2,1-2H3.
What are the key properties of 2-[2-(dimethylhydrazinylidene)ethylidene]-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one?
2-[2-(dimethylhydrazinylidene)ethylidene]-5-[(4-fluorophenyl)methylidene]cyclopentan-1-one has a molecular weight of 272.32 g/mol, XLogP of 3.05, 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-fluorophenyl)methylidene]cyclopentan-1-one is sourced from PubChem (CID 3458692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).