(2E,6E)-2-[(2E)-2-(dimethylhydrazinylidene)ethylidene]-6-(thiophen-2-ylmethylidene)cyclohexan-1-one

C15H18N2OS — CID 42917262

IUPAC(2E,6E)-2-[(2E)-2-(dimethylhydrazinylidene)ethylidene]-6-(thiophen-2-ylmethylidene)cyclohexan-1-one
SMILESCN(C)/N=C/C=C1\CCC/C(=C\c2cccs2)C1=O
InChIInChI=1S/C15H18N2OS/c1-17(2)16-9-8-12-5-3-6-13(15(12)18)11-14-7-4-10-19-14/h4,7-11H,3,5-6H2,1-2H3/b12-8+,13-11+,16-9+
InChIKeyLITBGXNPIKNKFL-LAXUWTBTSA-N
MW274.39 g/mol
LogP3.36
Rot. Bonds3

About (2E,6E)-2-[(2E)-2-(dimethylhydrazinylidene)ethylidene]-6-(thiophen-2-ylmethylidene)cyclohexan-1-one

(2E,6E)-2-[(2E)-2-(dimethylhydrazinylidene)ethylidene]-6-(thiophen-2-ylmethylidene)cyclohexan-1-one (PubChem CID 42917262) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is (2E,6E)-2-[(2E)-2-(dimethylhydrazinylidene)ethylidene]-6-(thiophen-2-ylmethylidene)cyclohexan-1-one.

Molecular Properties

Compound Name(2E,6E)-2-[(2E)-2-(dimethylhydrazinylidene)ethylidene]-6-(thiophen-2-ylmethylidene)cyclohexan-1-one
PubChem CID42917262
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name(2E,6E)-2-[(2E)-2-(dimethylhydrazinylidene)ethylidene]-6-(thiophen-2-ylmethylidene)cyclohexan-1-one
SMILESCN(C)/N=C/C=C1\CCC/C(=C\c2cccs2)C1=O
InChIInChI=1S/C15H18N2OS/c1-17(2)16-9-8-12-5-3-6-13(15(12)18)11-14-7-4-10-19-14/h4,7-11H,3,5-6H2,1-2H3/b12-8+,13-11+,16-9+
InChIKeyLITBGXNPIKNKFL-LAXUWTBTSA-N
XLogP3.36
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Related Compounds

2-[[4-(dimethylamino)phenyl]methylidene]-6-(thiophen-2-ylmethylidene)cyclohexan-1-one
CID 3808078
(2Z,5Z)-2-benzylidene-5-[(2E)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one
CID 75459654
2-[[2-(thiophen-2-ylmethylidene)cyclohexylidene]methyl]thiophene
CID 139178721
(2Z,5E)-2-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]-5-[[2-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one
CID 129361916
(2Z,5E)-2-[[4-(diethylamino)phenyl]methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one
CID 6900584
(1S,3Z,5S)-3,7-bis(thiophen-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione
CID 6858993
(1R,3Z,5R)-3,7-bis(thiophen-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione
CID 915771
(1R,3E,5R)-3,7-bis(thiophen-2-ylmethylidene)bicyclo[3.3.1]nonane-2,6-dione
CID 744502
(2Z)-5,7-dimethyl-2-(thiophen-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
CID 2697286
(2E)-2-(thiophen-2-ylmethylidene)-4,9-dihydro-3H-carbazol-1-one
CID 6518418
(3E)-1-methyl-3-(thiophen-2-ylmethylidene)piperidin-4-one
CID 110540726
2,6-bis[(5-methylthiophen-2-yl)methylidene]cyclohexan-1-one
CID 4642139

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-2-[(2E)-2-(dimethylhydrazinylidene)ethylidene]-6-(thiophen-2-ylmethylidene)cyclohexan-1-one?
The IUPAC name of (2E,6E)-2-[(2E)-2-(dimethylhydrazinylidene)ethylidene]-6-(thiophen-2-ylmethylidene)cyclohexan-1-one (CID 42917262) is (2E,6E)-2-[(2E)-2-(dimethylhydrazinylidene)ethylidene]-6-(thiophen-2-ylmethylidene)cyclohexan-1-one.
What is the SMILES notation for (2E,6E)-2-[(2E)-2-(dimethylhydrazinylidene)ethylidene]-6-(thiophen-2-ylmethylidene)cyclohexan-1-one?
The canonical SMILES for (2E,6E)-2-[(2E)-2-(dimethylhydrazinylidene)ethylidene]-6-(thiophen-2-ylmethylidene)cyclohexan-1-one is CN(C)/N=C/C=C1\CCC/C(=C\c2cccs2)C1=O.
What is the InChIKey of (2E,6E)-2-[(2E)-2-(dimethylhydrazinylidene)ethylidene]-6-(thiophen-2-ylmethylidene)cyclohexan-1-one?
The InChIKey is LITBGXNPIKNKFL-LAXUWTBTSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-17(2)16-9-8-12-5-3-6-13(15(12)18)11-14-7-4-10-19-14/h4,7-11H,3,5-6H2,1-2H3/b12-8+,13-11+,16-9+.
What are the key properties of (2E,6E)-2-[(2E)-2-(dimethylhydrazinylidene)ethylidene]-6-(thiophen-2-ylmethylidene)cyclohexan-1-one?
(2E,6E)-2-[(2E)-2-(dimethylhydrazinylidene)ethylidene]-6-(thiophen-2-ylmethylidene)cyclohexan-1-one has a molecular weight of 274.39 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-2-[(2E)-2-(dimethylhydrazinylidene)ethylidene]-6-(thiophen-2-ylmethylidene)cyclohexan-1-one is sourced from PubChem (CID 42917262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).