(2E)-2-[(3-fluorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one

C15H15FN2O — CID 102535378

IUPAC(2E)-2-[(3-fluorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one
SMILESO=C1C(=C2NCCN2)CC/C1=C\c1cccc(F)c1
InChIInChI=1S/C15H15FN2O/c16-12-3-1-2-10(9-12)8-11-4-5-13(14(11)19)15-17-6-7-18-15/h1-3,8-9,17-18H,4-7H2/b11-8+
InChIKeyXKQBZOCQUBBGGX-DHZHZOJOSA-N
MW258.30 g/mol
LogP1.98
Rot. Bonds1

About (2E)-2-[(3-fluorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one

(2E)-2-[(3-fluorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one (PubChem CID 102535378) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is (2E)-2-[(3-fluorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one.

Molecular Properties

Compound Name(2E)-2-[(3-fluorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one
PubChem CID102535378
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name(2E)-2-[(3-fluorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one
SMILESO=C1C(=C2NCCN2)CC/C1=C\c1cccc(F)c1
InChIInChI=1S/C15H15FN2O/c16-12-3-1-2-10(9-12)8-11-4-5-13(14(11)19)15-17-6-7-18-15/h1-3,8-9,17-18H,4-7H2/b11-8+
InChIKeyXKQBZOCQUBBGGX-DHZHZOJOSA-N
XLogP1.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[(3-chlorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one
CID 102535370
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(2E)-2-[(4-ethylphenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one
CID 102535373
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-5-imidazolidin-2-ylidenecyclopentan-1-one
CID 102535368
(2E)-2-[(3-fluorophenyl)methylidene]cycloheptan-1-one
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(6E)-6-[(3-fluorophenyl)methylidene]-8,9-dihydro-7H-benzo[7]annulen-5-one
CID 5469394
(3Z,5E)-3,5-bis[(3-fluorophenyl)methylidene]-1-methylpiperidin-4-one
CID 8833143
3-[(3-fluorophenyl)methylidene]oxolane-2,5-dione
CID 123467894
3-[(3-fluorophenyl)methylidene]thian-4-one
CID 131874625
(2E)-2-[(3-fluorophenyl)methylidene]-5-hydroxy-3H-inden-1-one
CID 134149885
(2E,6E)-4-tert-butyl-2,6-bis[(3-fluorophenyl)methylidene]cyclohexan-1-one
CID 6283777
4-[(3-fluorophenyl)methylidene]oxane
CID 165450645

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3-fluorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one?
The IUPAC name of (2E)-2-[(3-fluorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one (CID 102535378) is (2E)-2-[(3-fluorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one.
What is the SMILES notation for (2E)-2-[(3-fluorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one?
The canonical SMILES for (2E)-2-[(3-fluorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one is O=C1C(=C2NCCN2)CC/C1=C\c1cccc(F)c1.
What is the InChIKey of (2E)-2-[(3-fluorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one?
The InChIKey is XKQBZOCQUBBGGX-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-12-3-1-2-10(9-12)8-11-4-5-13(14(11)19)15-17-6-7-18-15/h1-3,8-9,17-18H,4-7H2/b11-8+.
What are the key properties of (2E)-2-[(3-fluorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one?
(2E)-2-[(3-fluorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one has a molecular weight of 258.30 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3-fluorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one is sourced from PubChem (CID 102535378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).