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

C15H15ClN2O — CID 102535370

IUPAC(2E)-2-[(3-chlorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one
SMILESO=C1C(=C2NCCN2)CC/C1=C\c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O/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+
InChIKeyGYLJQBCTOJPVDG-DHZHZOJOSA-N
MW274.75 g/mol
LogP2.49
Rot. Bonds1

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

(2E)-2-[(3-chlorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one (PubChem CID 102535370) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is (2E)-2-[(3-chlorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one.

Molecular Properties

Compound Name(2E)-2-[(3-chlorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one
PubChem CID102535370
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name(2E)-2-[(3-chlorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one
SMILESO=C1C(=C2NCCN2)CC/C1=C\c1cccc(Cl)c1
InChIInChI=1S/C15H15ClN2O/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+
InChIKeyGYLJQBCTOJPVDG-DHZHZOJOSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 52.49
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-fluorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one
CID 102535378
2-benzylidene-6-imidazolidin-2-ylidenecyclohexan-1-one
CID 75950629
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-5-imidazolidin-2-ylidenecyclopentan-1-one
CID 102535368
2,3-bis[(3-chlorophenyl)methylidene]piperidin-4-one
CID 141277752
(2E)-2-[(4-ethylphenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one
CID 102535373
(2E)-2-[(3-chlorophenyl)methylidene]-6-hydroxy-3,4-dihydronaphthalen-1-one
CID 47091844
1-chloro-3-(cyclopentylidenemethyl)benzene
CID 121281215
(2E,6E)-2-[(3-chlorophenyl)methylidene]-6-[(3-nitrophenyl)methylidene]cyclohexan-1-one
CID 57395209
6-chloro-3-[(3-chlorophenyl)methylidene]-1,2-dihydroindole
CID 91397746
(3Z)-6-chloro-3-[(3-chlorophenyl)methylidene]thiochromen-4-one
CID 18269848
(2E)-2-benzylidene-7-chloro-3,4-dihydronaphthalen-1-one
CID 155364648
(2E)-2,5-bis[(4-chlorophenyl)methylidene]cyclopentan-1-one
CID 694487

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(3-chlorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one?
The IUPAC name of (2E)-2-[(3-chlorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one (CID 102535370) is (2E)-2-[(3-chlorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one.
What is the SMILES notation for (2E)-2-[(3-chlorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one?
The canonical SMILES for (2E)-2-[(3-chlorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one is O=C1C(=C2NCCN2)CC/C1=C\c1cccc(Cl)c1.
What is the InChIKey of (2E)-2-[(3-chlorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one?
The InChIKey is GYLJQBCTOJPVDG-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H15ClN2O/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-chlorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one?
(2E)-2-[(3-chlorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one has a molecular weight of 274.75 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(3-chlorophenyl)methylidene]-5-imidazolidin-2-ylidenecyclopentan-1-one is sourced from PubChem (CID 102535370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).