6-chloro-3-[(5-chlorofuran-2-yl)methylidene]-1H-indol-2-one

C13H7Cl2NO2 — CID 70190219

IUPAC6-chloro-3-[(5-chlorofuran-2-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2C1=Cc1ccc(Cl)o1
InChIInChI=1S/C13H7Cl2NO2/c14-7-1-3-9-10(13(17)16-11(9)5-7)6-8-2-4-12(15)18-8/h1-6H,(H,16,17)
InChIKeyCDECZYZHGBOXMG-UHFFFAOYSA-N
MW280.11 g/mol
LogP4.08
Rot. Bonds1

About 6-chloro-3-[(5-chlorofuran-2-yl)methylidene]-1H-indol-2-one

6-chloro-3-[(5-chlorofuran-2-yl)methylidene]-1H-indol-2-one (PubChem CID 70190219) has the molecular formula C13H7Cl2NO2 and a molecular weight of 280.11 g/mol. Its IUPAC name is 6-chloro-3-[(5-chlorofuran-2-yl)methylidene]-1H-indol-2-one.

Molecular Properties

Compound Name6-chloro-3-[(5-chlorofuran-2-yl)methylidene]-1H-indol-2-one
PubChem CID70190219
Molecular FormulaC13H7Cl2NO2
Molecular Weight280.11 g/mol
Exact Mass278.99
IUPAC Name6-chloro-3-[(5-chlorofuran-2-yl)methylidene]-1H-indol-2-one
SMILESO=C1Nc2cc(Cl)ccc2C1=Cc1ccc(Cl)o1
InChIInChI=1S/C13H7Cl2NO2/c14-7-1-3-9-10(13(17)16-11(9)5-7)6-8-2-4-12(15)18-8/h1-6H,(H,16,17)
InChIKeyCDECZYZHGBOXMG-UHFFFAOYSA-N
XLogP4.08
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z)-6-chloro-3-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]-1H-indol-2-one
CID 18270118
(3Z)-3-benzylidene-6-chloro-1H-indol-2-one
CID 962904
(3E)-6-chloro-3-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1H-indol-2-one
CID 66553955
4-[(E)-(6-chloro-2-oxo-1H-indol-3-ylidene)methyl]benzaldehyde
CID 90683183
(3E)-6-chloro-3-propylidene-1H-indol-2-one
CID 59774782
6-chloro-3-[(5-chloro-2-iodophenyl)methylidene]-1H-indol-2-one
CID 71028321
6-chloro-3-[(4-methoxyphenyl)methylidene]-1H-indol-2-one
CID 66632701
3-[[5-(4-bromophenyl)furan-2-yl]methylidene]-5-chloro-1H-indol-2-one
CID 4838804
(3Z)-6-chloro-3-[(3-chloro-4-fluorophenyl)methylidene]-1H-indol-2-one
CID 86620116
(3E)-6-chloro-3-[(3,5-dichloro-4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 72710618
(3E)-6-chloro-3-(thiophen-2-ylmethylidene)-1H-indol-2-one
CID 963022
3-[(5-bromo-2-methoxyphenyl)methylidene]-6-chloro-1H-indol-2-one
CID 5012571

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(5-chlorofuran-2-yl)methylidene]-1H-indol-2-one?
The IUPAC name of 6-chloro-3-[(5-chlorofuran-2-yl)methylidene]-1H-indol-2-one (CID 70190219) is 6-chloro-3-[(5-chlorofuran-2-yl)methylidene]-1H-indol-2-one.
What is the SMILES notation for 6-chloro-3-[(5-chlorofuran-2-yl)methylidene]-1H-indol-2-one?
The canonical SMILES for 6-chloro-3-[(5-chlorofuran-2-yl)methylidene]-1H-indol-2-one is O=C1Nc2cc(Cl)ccc2C1=Cc1ccc(Cl)o1.
What is the InChIKey of 6-chloro-3-[(5-chlorofuran-2-yl)methylidene]-1H-indol-2-one?
The InChIKey is CDECZYZHGBOXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2NO2/c14-7-1-3-9-10(13(17)16-11(9)5-7)6-8-2-4-12(15)18-8/h1-6H,(H,16,17).
What are the key properties of 6-chloro-3-[(5-chlorofuran-2-yl)methylidene]-1H-indol-2-one?
6-chloro-3-[(5-chlorofuran-2-yl)methylidene]-1H-indol-2-one has a molecular weight of 280.11 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(5-chlorofuran-2-yl)methylidene]-1H-indol-2-one is sourced from PubChem (CID 70190219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).