(2E,5E)-2-[(3,4-dimethoxyphenyl)methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one

C18H22N2O3 — CID 6255693

IUPAC(2E,5E)-2-[(3,4-dimethoxyphenyl)methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one
SMILESCOc1ccc(/C=C2\CC/C(=C\C=N/N(C)C)C2=O)cc1OC
InChIInChI=1S/C18H22N2O3/c1-20(2)19-10-9-14-6-7-15(18(14)21)11-13-5-8-16(22-3)17(12-13)23-4/h5,8-12H,6-7H2,1-4H3/b14-9+,15-11+,19-10-
InChIKeyUJYVAEJAXWSTDV-HWNUBBRMSA-N
MW314.39 g/mol
LogP2.92
Rot. Bonds5

About (2E,5E)-2-[(3,4-dimethoxyphenyl)methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one

(2E,5E)-2-[(3,4-dimethoxyphenyl)methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one (PubChem CID 6255693) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is (2E,5E)-2-[(3,4-dimethoxyphenyl)methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(2E,5E)-2-[(3,4-dimethoxyphenyl)methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one
PubChem CID6255693
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name(2E,5E)-2-[(3,4-dimethoxyphenyl)methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one
SMILESCOc1ccc(/C=C2\CC/C(=C\C=N/N(C)C)C2=O)cc1OC
InChIInChI=1S/C18H22N2O3/c1-20(2)19-10-9-14-6-7-15(18(14)21)11-13-5-8-16(22-3)17(12-13)23-4/h5,8-12H,6-7H2,1-4H3/b14-9+,15-11+,19-10-
InChIKeyUJYVAEJAXWSTDV-HWNUBBRMSA-N
XLogP2.92
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(2Z,5Z)-2-benzylidene-5-[(2E)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one
CID 75459654
(2Z,5E)-2-[[4-(diethylamino)phenyl]methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one
CID 6900584
(2Z,5E)-2,5-bis[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylidene]cyclopentan-1-one
CID 19577762
(2Z,3R,6E)-2,6-bis[(3,4-dimethoxyphenyl)methylidene]-3-methylcyclohexan-1-one
CID 92858095
(2E,6Z)-2,6-bis[(3,4-dimethoxyphenyl)methylidene]-3-methylcyclohexan-1-one
CID 6475010
(3Z,5Z)-3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-ethylpiperidin-4-one
CID 92899824
2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one
CID 11366
(2Z,7Z)-2,7-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cycloheptan-1-one
CID 177487942
(6E)-2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one
CID 969490
3,5-bis[(3,4-dimethoxyphenyl)methylidene]-1-phenylpiperidin-4-one
CID 155654046
(2E,6E)-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-6-[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one
CID 122378834
(2E,6S)-2-[(3,4-dimethoxyphenyl)methylidene]-6-methylcyclohexan-1-one
CID 9028586

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-2-[(3,4-dimethoxyphenyl)methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one?
The IUPAC name of (2E,5E)-2-[(3,4-dimethoxyphenyl)methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one (CID 6255693) is (2E,5E)-2-[(3,4-dimethoxyphenyl)methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one.
What is the SMILES notation for (2E,5E)-2-[(3,4-dimethoxyphenyl)methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one?
The canonical SMILES for (2E,5E)-2-[(3,4-dimethoxyphenyl)methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one is COc1ccc(/C=C2\CC/C(=C\C=N/N(C)C)C2=O)cc1OC.
What is the InChIKey of (2E,5E)-2-[(3,4-dimethoxyphenyl)methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one?
The InChIKey is UJYVAEJAXWSTDV-HWNUBBRMSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-20(2)19-10-9-14-6-7-15(18(14)21)11-13-5-8-16(22-3)17(12-13)23-4/h5,8-12H,6-7H2,1-4H3/b14-9+,15-11+,19-10-.
What are the key properties of (2E,5E)-2-[(3,4-dimethoxyphenyl)methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one?
(2E,5E)-2-[(3,4-dimethoxyphenyl)methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one has a molecular weight of 314.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-2-[(3,4-dimethoxyphenyl)methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one is sourced from PubChem (CID 6255693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).