(3E)-3-[(4-chlorophenyl)methylidene]isoindol-1-one

C15H10ClNO — CID 46933544

IUPAC(3E)-3-[(4-chlorophenyl)methylidene]isoindol-1-one
SMILESO=C1N/C(=C/c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C15H10ClNO/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(18)17-14/h1-9H,(H,17,18)/b14-9+
InChIKeyRIXZLNQJMXPBQG-NTEUORMPSA-N
MW255.70 g/mol
LogP3.58
Rot. Bonds1

About (3E)-3-[(4-chlorophenyl)methylidene]isoindol-1-one

(3E)-3-[(4-chlorophenyl)methylidene]isoindol-1-one (PubChem CID 46933544) has the molecular formula C15H10ClNO and a molecular weight of 255.70 g/mol. Its IUPAC name is (3E)-3-[(4-chlorophenyl)methylidene]isoindol-1-one.

Molecular Properties

Compound Name(3E)-3-[(4-chlorophenyl)methylidene]isoindol-1-one
PubChem CID46933544
Molecular FormulaC15H10ClNO
Molecular Weight255.70 g/mol
Exact Mass255.05
IUPAC Name(3E)-3-[(4-chlorophenyl)methylidene]isoindol-1-one
SMILESO=C1N/C(=C/c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C15H10ClNO/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(18)17-14/h1-9H,(H,17,18)/b14-9+
InChIKeyRIXZLNQJMXPBQG-NTEUORMPSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[(4-nitrophenyl)methylidene]isoindol-1-one
CID 12525674
(3E)-3-[(4-chlorophenyl)sulfanylmethylidene]isoindol-1-one
CID 6177532
(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 5398219
(3E)-3-ethylideneisoindol-1-one
CID 21496701
N-(4-chlorophenyl)-N-cyano-2-(3-oxoisoindol-1-ylidene)acetamide
CID 57089700
CID 158403573
CID 158403573
lithium isoindole-1,3-dione
CID 18764300
isoindole-1,3-dione;phosphane
CID 89428738
hydron;isoindole-1,3-dione
CID 174301362
chloroform;isoindole-1,3-dione
CID 157323823
dichloromethane;isoindole-1,3-dione
CID 159399465
(2E)-2-[(4-chlorophenyl)methylidene]-4H-1,4-benzothiazin-3-one
CID 2302262

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-chlorophenyl)methylidene]isoindol-1-one?
The IUPAC name of (3E)-3-[(4-chlorophenyl)methylidene]isoindol-1-one (CID 46933544) is (3E)-3-[(4-chlorophenyl)methylidene]isoindol-1-one.
What is the SMILES notation for (3E)-3-[(4-chlorophenyl)methylidene]isoindol-1-one?
The canonical SMILES for (3E)-3-[(4-chlorophenyl)methylidene]isoindol-1-one is O=C1N/C(=C/c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of (3E)-3-[(4-chlorophenyl)methylidene]isoindol-1-one?
The InChIKey is RIXZLNQJMXPBQG-NTEUORMPSA-N. The full InChI is InChI=1S/C15H10ClNO/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(18)17-14/h1-9H,(H,17,18)/b14-9+.
What are the key properties of (3E)-3-[(4-chlorophenyl)methylidene]isoindol-1-one?
(3E)-3-[(4-chlorophenyl)methylidene]isoindol-1-one has a molecular weight of 255.70 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-chlorophenyl)methylidene]isoindol-1-one is sourced from PubChem (CID 46933544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).