(2E)-2-[(4-ethylphenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one

C17H20N2O — CID 102535373

IUPAC(2E)-2-[(4-ethylphenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one
SMILESCCc1ccc(/C=C2\CCC(=C3NCCN3)C2=O)cc1
InChIInChI=1S/C17H20N2O/c1-2-12-3-5-13(6-4-12)11-14-7-8-15(16(14)20)17-18-9-10-19-17/h3-6,11,18-19H,2,7-10H2,1H3/b14-11+
InChIKeyCJBNKHWKEVYRNW-SDNWHVSQSA-N
MW268.36 g/mol
LogP2.40
Rot. Bonds2

About (2E)-2-[(4-ethylphenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one

(2E)-2-[(4-ethylphenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one (PubChem CID 102535373) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is (2E)-2-[(4-ethylphenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one.

Molecular Properties

Compound Name(2E)-2-[(4-ethylphenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one
PubChem CID102535373
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name(2E)-2-[(4-ethylphenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one
SMILESCCc1ccc(/C=C2\CCC(=C3NCCN3)C2=O)cc1
InChIInChI=1S/C17H20N2O/c1-2-12-3-5-13(6-4-12)11-14-7-8-15(16(14)20)17-18-9-10-19-17/h3-6,11,18-19H,2,7-10H2,1H3/b14-11+
InChIKeyCJBNKHWKEVYRNW-SDNWHVSQSA-N
XLogP2.40
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.40
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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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(4-ethylphenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one?
The IUPAC name of (2E)-2-[(4-ethylphenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one (CID 102535373) is (2E)-2-[(4-ethylphenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one.
What is the SMILES notation for (2E)-2-[(4-ethylphenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one?
The canonical SMILES for (2E)-2-[(4-ethylphenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one is CCc1ccc(/C=C2\CCC(=C3NCCN3)C2=O)cc1.
What is the InChIKey of (2E)-2-[(4-ethylphenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one?
The InChIKey is CJBNKHWKEVYRNW-SDNWHVSQSA-N. The full InChI is InChI=1S/C17H20N2O/c1-2-12-3-5-13(6-4-12)11-14-7-8-15(16(14)20)17-18-9-10-19-17/h3-6,11,18-19H,2,7-10H2,1H3/b14-11+.
What are the key properties of (2E)-2-[(4-ethylphenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one?
(2E)-2-[(4-ethylphenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one has a molecular weight of 268.36 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(4-ethylphenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one is sourced from PubChem (CID 102535373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).