3-[(2,6-dichlorophenyl)methylidene]-5-nitro-1H-indol-2-one

C15H8Cl2N2O3 — CID 75299377

IUPAC3-[(2,6-dichlorophenyl)methylidene]-5-nitro-1H-indol-2-one
SMILESO=C1Nc2ccc([N+](=O)[O-])cc2C1=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H8Cl2N2O3/c16-12-2-1-3-13(17)11(12)7-10-9-6-8(19(21)22)4-5-14(9)18-15(10)20/h1-7H,(H,18,20)
InChIKeyZHTSUSOQDUEUAO-UHFFFAOYSA-N
MW335.15 g/mol
LogP4.39
Rot. Bonds2

About 3-[(2,6-dichlorophenyl)methylidene]-5-nitro-1H-indol-2-one

3-[(2,6-dichlorophenyl)methylidene]-5-nitro-1H-indol-2-one (PubChem CID 75299377) has the molecular formula C15H8Cl2N2O3 and a molecular weight of 335.15 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methylidene]-5-nitro-1H-indol-2-one.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methylidene]-5-nitro-1H-indol-2-one
PubChem CID75299377
Molecular FormulaC15H8Cl2N2O3
Molecular Weight335.15 g/mol
Exact Mass333.99
IUPAC Name3-[(2,6-dichlorophenyl)methylidene]-5-nitro-1H-indol-2-one
SMILESO=C1Nc2ccc([N+](=O)[O-])cc2C1=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C15H8Cl2N2O3/c16-12-2-1-3-13(17)11(12)7-10-9-6-8(19(21)22)4-5-14(9)18-15(10)20/h1-7H,(H,18,20)
InChIKeyZHTSUSOQDUEUAO-UHFFFAOYSA-N
XLogP4.39
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-5-chloro-3-[(2,6-dichlorophenyl)methylidene]-1H-indol-2-one
CID 2449460
(3Z)-3-[(4-chlorophenyl)methylidene]-5-nitro-1H-indol-2-one
CID 134104720
(3Z)-5-nitro-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
CID 10658651
(3E)-5-nitro-3-(thiophen-2-ylmethylidene)-1H-indol-2-one
CID 22394616
methane;5-nitro-1H-indole-2,3-dione
CID 174942814
(3E)-3-[(5-bromofuran-2-yl)methylidene]-5-nitro-1H-indol-2-one
CID 46233682
(5E)-5-[(2,6-dichlorophenyl)methylidene]-1-(4-nitrophenyl)-1,3-diazinane-2,4,6-trione
CID 126223846
3-[(1-methylsulfanylthiophen-1-ium-2-yl)methylidene]-5-nitro-1H-indol-2-one
CID 172828217
5-nitro-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
CID 57167088
ethyl 3,5-dimethyl-4-[(E)-(5-nitro-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate
CID 15984069
(3E)-5-chloro-3-[(4-chloro-3-nitrophenyl)methylidene]-1H-indol-2-one
CID 2688437
5-chloro-3-[(2,3-dichlorophenyl)methylidene]-1H-indol-2-one
CID 5133305

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methylidene]-5-nitro-1H-indol-2-one?
The IUPAC name of 3-[(2,6-dichlorophenyl)methylidene]-5-nitro-1H-indol-2-one (CID 75299377) is 3-[(2,6-dichlorophenyl)methylidene]-5-nitro-1H-indol-2-one.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methylidene]-5-nitro-1H-indol-2-one?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methylidene]-5-nitro-1H-indol-2-one is O=C1Nc2ccc([N+](=O)[O-])cc2C1=Cc1c(Cl)cccc1Cl.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methylidene]-5-nitro-1H-indol-2-one?
The InChIKey is ZHTSUSOQDUEUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2O3/c16-12-2-1-3-13(17)11(12)7-10-9-6-8(19(21)22)4-5-14(9)18-15(10)20/h1-7H,(H,18,20).
What are the key properties of 3-[(2,6-dichlorophenyl)methylidene]-5-nitro-1H-indol-2-one?
3-[(2,6-dichlorophenyl)methylidene]-5-nitro-1H-indol-2-one has a molecular weight of 335.15 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methylidene]-5-nitro-1H-indol-2-one is sourced from PubChem (CID 75299377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).