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

C20H27N3O — CID 6900584

IUPAC(2Z,5E)-2-[[4-(diethylamino)phenyl]methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one
SMILESCCN(CC)c1ccc(/C=C2/CC/C(=C\C=N/N(C)C)C2=O)cc1
InChIInChI=1S/C20H27N3O/c1-5-23(6-2)19-11-7-16(8-12-19)15-18-10-9-17(20(18)24)13-14-21-22(3)4/h7-8,11-15H,5-6,9-10H2,1-4H3/b17-13+,18-15-,21-14-
InChIKeyLQJHPDKJVNVALZ-FYEAFEFSSA-N
MW325.46 g/mol
LogP3.75
Rot. Bonds6

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

(2Z,5E)-2-[[4-(diethylamino)phenyl]methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one (PubChem CID 6900584) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is (2Z,5E)-2-[[4-(diethylamino)phenyl]methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(2Z,5E)-2-[[4-(diethylamino)phenyl]methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one
PubChem CID6900584
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name(2Z,5E)-2-[[4-(diethylamino)phenyl]methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one
SMILESCCN(CC)c1ccc(/C=C2/CC/C(=C\C=N/N(C)C)C2=O)cc1
InChIInChI=1S/C20H27N3O/c1-5-23(6-2)19-11-7-16(8-12-19)15-18-10-9-17(20(18)24)13-14-21-22(3)4/h7-8,11-15H,5-6,9-10H2,1-4H3/b17-13+,18-15-,21-14-
InChIKeyLQJHPDKJVNVALZ-FYEAFEFSSA-N
XLogP3.75
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'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-[[4-(diethylamino)phenyl]methylidene]-5-[[4-(dimethylamino)phenyl]methylidene]cyclopentan-1-one
CID 20653368
(2Z,5Z)-2-benzylidene-5-[(2E)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one
CID 75459654
2,6-bis[[4-(diethylamino)phenyl]methylidene]cyclohexan-1-one
CID 3385046
(2E,5E)-2-[[4-[bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]amino]phenyl]methylidene]-5-[[4-(diethylamino)phenyl]methylidene]cyclopentan-1-one
CID 53467510
2,5-bis[[4-(dibutylamino)phenyl]methylidene]cyclopentan-1-one
CID 69436627
(3Z,5Z)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-methylpiperidin-4-one
CID 2327710
(2Z,6E)-2,6-bis[[4-(diethylamino)phenyl]methylidene]-4-methylcyclohexan-1-one
CID 2304864
(2E,6E)-2-[[4-(diethylamino)phenyl]methylidene]-6-[[4-(4-fluorophenyl)phenyl]methylidene]cyclohexan-1-one
CID 127027866
3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-propylpiperidin-4-one
CID 54488176
(2Z,5E)-2-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]-5-[[2-(trifluoromethyl)phenyl]methylidene]cyclopentan-1-one
CID 129361916
(2Z,5Z)-2,5-bis[[4-[di(propan-2-yl)amino]phenyl]methylidene]cyclopentan-1-one
CID 177384592
2,5-bis[[4-(diethylamino)-2-methylphenyl]methylidene]cyclopentan-1-one
CID 54081484

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-2-[[4-(diethylamino)phenyl]methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one?
The IUPAC name of (2Z,5E)-2-[[4-(diethylamino)phenyl]methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one (CID 6900584) is (2Z,5E)-2-[[4-(diethylamino)phenyl]methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one.
What is the SMILES notation for (2Z,5E)-2-[[4-(diethylamino)phenyl]methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one?
The canonical SMILES for (2Z,5E)-2-[[4-(diethylamino)phenyl]methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one is CCN(CC)c1ccc(/C=C2/CC/C(=C\C=N/N(C)C)C2=O)cc1.
What is the InChIKey of (2Z,5E)-2-[[4-(diethylamino)phenyl]methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one?
The InChIKey is LQJHPDKJVNVALZ-FYEAFEFSSA-N. The full InChI is InChI=1S/C20H27N3O/c1-5-23(6-2)19-11-7-16(8-12-19)15-18-10-9-17(20(18)24)13-14-21-22(3)4/h7-8,11-15H,5-6,9-10H2,1-4H3/b17-13+,18-15-,21-14-.
What are the key properties of (2Z,5E)-2-[[4-(diethylamino)phenyl]methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one?
(2Z,5E)-2-[[4-(diethylamino)phenyl]methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one has a molecular weight of 325.46 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-2-[[4-(diethylamino)phenyl]methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one is sourced from PubChem (CID 6900584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).