(2Z,5E)-2,5-bis[(2-chlorophenyl)methylidene]cyclopentan-1-one

C19H14Cl2O — CID 20834767

IUPAC(2Z,5E)-2,5-bis[(2-chlorophenyl)methylidene]cyclopentan-1-one
SMILESO=C1/C(=C\c2ccccc2Cl)CC/C1=C\c1ccccc1Cl
InChIInChI=1S/C19H14Cl2O/c20-17-7-3-1-5-13(17)11-15-9-10-16(19(15)22)12-14-6-2-4-8-18(14)21/h1-8,11-12H,9-10H2/b15-11-,16-12+
InChIKeyRHVDVNSBPYATIJ-UKVBVZPVSA-N
MW329.23 g/mol
LogP5.82
Rot. Bonds2

About (2Z,5E)-2,5-bis[(2-chlorophenyl)methylidene]cyclopentan-1-one

(2Z,5E)-2,5-bis[(2-chlorophenyl)methylidene]cyclopentan-1-one (PubChem CID 20834767) has the molecular formula C19H14Cl2O and a molecular weight of 329.23 g/mol. Its IUPAC name is (2Z,5E)-2,5-bis[(2-chlorophenyl)methylidene]cyclopentan-1-one.

Molecular Properties

Compound Name(2Z,5E)-2,5-bis[(2-chlorophenyl)methylidene]cyclopentan-1-one
PubChem CID20834767
Molecular FormulaC19H14Cl2O
Molecular Weight329.23 g/mol
Exact Mass328.04
IUPAC Name(2Z,5E)-2,5-bis[(2-chlorophenyl)methylidene]cyclopentan-1-one
SMILESO=C1/C(=C\c2ccccc2Cl)CC/C1=C\c1ccccc1Cl
InChIInChI=1S/C19H14Cl2O/c20-17-7-3-1-5-13(17)11-15-9-10-16(19(15)22)12-14-6-2-4-8-18(14)21/h1-8,11-12H,9-10H2/b15-11-,16-12+
InChIKeyRHVDVNSBPYATIJ-UKVBVZPVSA-N
XLogP5.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.23
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

(2Z,7Z)-2,7-bis[(2-chlorophenyl)methylidene]cycloheptan-1-one
CID 98105115
(2E,6E)-2,6-bis[(2-chlorophenyl)methylidene]-4-phenylcyclohexan-1-one
CID 24938432
3,5-bis[(2-chlorophenyl)methylidene]-1-methylpiperidin-4-one
CID 1109367
(2E)-2-[(2-chlorophenyl)methylidene]cyclohexan-1-one
CID 5374995
(3Z,5E)-3,5-bis[(2-chlorophenyl)methylidene]-1-ethylpiperidin-1-ium-4-one
CID 2391418
3-[(2-chlorophenyl)methylidene]piperidin-4-one
CID 175300543
2,4-bis[(2-chlorophenyl)methylidene]thiolan-3-one
CID 2799503
(2E)-2-[(2-chlorophenyl)methylidene]-3H-inden-1-one
CID 2305460
4-[(3Z,5E)-3,5-bis[(2-chlorophenyl)methylidene]-4-oxopiperidin-1-yl]-4-oxobutanoic acid
CID 177480128
2-[(2-chlorophenyl)methylidene]piperidin-4-one
CID 167533120
2-[(2,4-dichlorophenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 711408
2,6-bis[(2-nitrophenyl)methylidene]cyclohexan-1-one
CID 577023

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-2,5-bis[(2-chlorophenyl)methylidene]cyclopentan-1-one?
The IUPAC name of (2Z,5E)-2,5-bis[(2-chlorophenyl)methylidene]cyclopentan-1-one (CID 20834767) is (2Z,5E)-2,5-bis[(2-chlorophenyl)methylidene]cyclopentan-1-one.
What is the SMILES notation for (2Z,5E)-2,5-bis[(2-chlorophenyl)methylidene]cyclopentan-1-one?
The canonical SMILES for (2Z,5E)-2,5-bis[(2-chlorophenyl)methylidene]cyclopentan-1-one is O=C1/C(=C\c2ccccc2Cl)CC/C1=C\c1ccccc1Cl.
What is the InChIKey of (2Z,5E)-2,5-bis[(2-chlorophenyl)methylidene]cyclopentan-1-one?
The InChIKey is RHVDVNSBPYATIJ-UKVBVZPVSA-N. The full InChI is InChI=1S/C19H14Cl2O/c20-17-7-3-1-5-13(17)11-15-9-10-16(19(15)22)12-14-6-2-4-8-18(14)21/h1-8,11-12H,9-10H2/b15-11-,16-12+.
What are the key properties of (2Z,5E)-2,5-bis[(2-chlorophenyl)methylidene]cyclopentan-1-one?
(2Z,5E)-2,5-bis[(2-chlorophenyl)methylidene]cyclopentan-1-one has a molecular weight of 329.23 g/mol, XLogP of 5.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-2,5-bis[(2-chlorophenyl)methylidene]cyclopentan-1-one is sourced from PubChem (CID 20834767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).