4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde

C16H10ClNO2 — CID 90683183

IUPAC4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde
SMILESO=Cc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1
InChIInChI=1S/C16H10ClNO2/c17-12-5-6-13-14(16(20)18-15(13)8-12)7-10-1-3-11(9-19)4-2-10/h1-9H,(H,18,20)/b14-7+
InChIKeyUEXVZQUDEJIKDQ-VGOFMYFVSA-N
MW283.71 g/mol
LogP3.65
Rot. Bonds2

About 4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde

4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde (PubChem CID 90683183) has the molecular formula C16H10ClNO2 and a molecular weight of 283.71 g/mol. Its IUPAC name is 4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde.

Molecular Properties

Compound Name4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde
PubChem CID90683183
Molecular FormulaC16H10ClNO2
Molecular Weight283.71 g/mol
Exact Mass283.04
IUPAC Name4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde
SMILESO=Cc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1
InChIInChI=1S/C16H10ClNO2/c17-12-5-6-13-14(16(20)18-15(13)8-12)7-10-1-3-11(9-19)4-2-10/h1-9H,(H,18,20)/b14-7+
InChIKeyUEXVZQUDEJIKDQ-VGOFMYFVSA-N
XLogP3.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-benzylidene-6-chloro-1H-indol-2-one
CID 962904
6-chloro-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 66632701
(3Z)-6-chloro-3-[(3-chloro-4-fluorophenyl)methylidene]-1H-indol-2-one
CID 86620116
N-[4-[(Z)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenyl]acetamide
CID 2360372
(3E)-6-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 72710618
3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one
CID 3925589
(3Z)-3-[(3-bromophenyl)methylidene]-6-chloro-1H-indol-2-one
CID 962912
(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-6-chloro-1H-indol-2-one
CID 2487183
(3Z)-3-[(4-chlorophenyl)methylidene]-1H-indol-2-one
CID 5398219
3-[4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]phenoxy]propanoic acid
CID 52614200
6-chloro-3-[(4-hydroxy-3-methoxyphenyl)methylidene]-1H-indol-2-one
CID 78212058
6-chloro-3-[(5-chloro-2-iodophenyl)methylidene]-1H-indol-2-one
CID 71028321

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde?
The IUPAC name of 4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde (CID 90683183) is 4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde.
What is the SMILES notation for 4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde?
The canonical SMILES for 4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde is O=Cc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1.
What is the InChIKey of 4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde?
The InChIKey is UEXVZQUDEJIKDQ-VGOFMYFVSA-N. The full InChI is InChI=1S/C16H10ClNO2/c17-12-5-6-13-14(16(20)18-15(13)8-12)7-10-1-3-11(9-19)4-2-10/h1-9H,(H,18,20)/b14-7+.
What are the key properties of 4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde?
4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde has a molecular weight of 283.71 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde is sourced from PubChem (CID 90683183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).