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

C25H30N2O — CID 20653368

IUPAC(2Z,5Z)-2-[[4-(diethylamino)phenyl]methylidene]-5-[[4-(dimethylamino)phenyl]methylidene]cyclopentan-1-one
SMILESCCN(CC)c1ccc(/C=C2/CC/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1
InChIInChI=1S/C25H30N2O/c1-5-27(6-2)24-15-9-20(10-16-24)18-22-12-11-21(25(22)28)17-19-7-13-23(14-8-19)26(3)4/h7-10,13-18H,5-6,11-12H2,1-4H3/b21-17-,22-18-
InChIKeyPHBFKQJTFYUMBU-SVJWQLCWSA-N
MW374.53 g/mol
LogP5.43
Rot. Bonds6

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

(2Z,5Z)-2-[[4-(diethylamino)phenyl]methylidene]-5-[[4-(dimethylamino)phenyl]methylidene]cyclopentan-1-one (PubChem CID 20653368) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is (2Z,5Z)-2-[[4-(diethylamino)phenyl]methylidene]-5-[[4-(dimethylamino)phenyl]methylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(2Z,5Z)-2-[[4-(diethylamino)phenyl]methylidene]-5-[[4-(dimethylamino)phenyl]methylidene]cyclopentan-1-one
PubChem CID20653368
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name(2Z,5Z)-2-[[4-(diethylamino)phenyl]methylidene]-5-[[4-(dimethylamino)phenyl]methylidene]cyclopentan-1-one
SMILESCCN(CC)c1ccc(/C=C2/CC/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1
InChIInChI=1S/C25H30N2O/c1-5-27(6-2)24-15-9-20(10-16-24)18-22-12-11-21(25(22)28)17-19-7-13-23(14-8-19)26(3)4/h7-10,13-18H,5-6,11-12H2,1-4H3/b21-17-,22-18-
InChIKeyPHBFKQJTFYUMBU-SVJWQLCWSA-N
XLogP5.43
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,6-bis[[4-(diethylamino)phenyl]methylidene]cyclohexan-1-one
CID 3385046
(2Z,5E)-2-[[4-(diethylamino)phenyl]methylidene]-5-[(2Z)-2-(dimethylhydrazinylidene)ethylidene]cyclopentan-1-one
CID 6900584
(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
(3Z,5Z)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-methylpiperidin-4-one
CID 2327710
2,5-bis[[4-(dibutylamino)phenyl]methylidene]cyclopentan-1-one
CID 69436627
(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
(2E,6E)-2-benzylidene-6-[[4-(dimethylamino)phenyl]methylidene]cyclohexan-1-one
CID 2313555
3,5-bis[[4-(diethylamino)phenyl]methylidene]-1-propylpiperidin-4-one
CID 54488176
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638
(2Z,5Z)-2,5-bis[[4-[di(propan-2-yl)amino]phenyl]methylidene]cyclopentan-1-one
CID 177384592
(3Z,5Z)-3,5-bis[[4-(dimethylamino)phenyl]methylidene]-1,1-dimethylpiperidin-1-ium-4-one iodide
CID 45281164

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[[4-(diethylamino)phenyl]methylidene]-5-[[4-(dimethylamino)phenyl]methylidene]cyclopentan-1-one?
The IUPAC name of (2Z,5Z)-2-[[4-(diethylamino)phenyl]methylidene]-5-[[4-(dimethylamino)phenyl]methylidene]cyclopentan-1-one (CID 20653368) is (2Z,5Z)-2-[[4-(diethylamino)phenyl]methylidene]-5-[[4-(dimethylamino)phenyl]methylidene]cyclopentan-1-one.
What is the SMILES notation for (2Z,5Z)-2-[[4-(diethylamino)phenyl]methylidene]-5-[[4-(dimethylamino)phenyl]methylidene]cyclopentan-1-one?
The canonical SMILES for (2Z,5Z)-2-[[4-(diethylamino)phenyl]methylidene]-5-[[4-(dimethylamino)phenyl]methylidene]cyclopentan-1-one is CCN(CC)c1ccc(/C=C2/CC/C(=C/c3ccc(N(C)C)cc3)C2=O)cc1.
What is the InChIKey of (2Z,5Z)-2-[[4-(diethylamino)phenyl]methylidene]-5-[[4-(dimethylamino)phenyl]methylidene]cyclopentan-1-one?
The InChIKey is PHBFKQJTFYUMBU-SVJWQLCWSA-N. The full InChI is InChI=1S/C25H30N2O/c1-5-27(6-2)24-15-9-20(10-16-24)18-22-12-11-21(25(22)28)17-19-7-13-23(14-8-19)26(3)4/h7-10,13-18H,5-6,11-12H2,1-4H3/b21-17-,22-18-.
What are the key properties of (2Z,5Z)-2-[[4-(diethylamino)phenyl]methylidene]-5-[[4-(dimethylamino)phenyl]methylidene]cyclopentan-1-one?
(2Z,5Z)-2-[[4-(diethylamino)phenyl]methylidene]-5-[[4-(dimethylamino)phenyl]methylidene]cyclopentan-1-one has a molecular weight of 374.53 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-[[4-(diethylamino)phenyl]methylidene]-5-[[4-(dimethylamino)phenyl]methylidene]cyclopentan-1-one is sourced from PubChem (CID 20653368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).