(3E)-5,7-dichloro-3-ethoxyimino-1H-indol-2-one

C10H8Cl2N2O2 — CID 135950881

IUPAC(3E)-5,7-dichloro-3-ethoxyimino-1H-indol-2-one
SMILESCCO/N=C1/C(=O)Nc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C10H8Cl2N2O2/c1-2-16-14-9-6-3-5(11)4-7(12)8(6)13-10(9)15/h3-4H,2H2,1H3,(H,13,14,15)
InChIKeyUDUZYWIGTCGCFH-UHFFFAOYSA-N
MW259.09 g/mol
LogP2.69
Rot. Bonds2

About (3E)-5,7-dichloro-3-ethoxyimino-1H-indol-2-one

(3E)-5,7-dichloro-3-ethoxyimino-1H-indol-2-one (PubChem CID 135950881) has the molecular formula C10H8Cl2N2O2 and a molecular weight of 259.09 g/mol. Its IUPAC name is (3E)-5,7-dichloro-3-ethoxyimino-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-5,7-dichloro-3-ethoxyimino-1H-indol-2-one
PubChem CID135950881
Molecular FormulaC10H8Cl2N2O2
Molecular Weight259.09 g/mol
Exact Mass258.00
IUPAC Name(3E)-5,7-dichloro-3-ethoxyimino-1H-indol-2-one
SMILESCCO/N=C1/C(=O)Nc2c(Cl)cc(Cl)cc21
InChIInChI=1S/C10H8Cl2N2O2/c1-2-16-14-9-6-3-5(11)4-7(12)8(6)13-10(9)15/h3-4H,2H2,1H3,(H,13,14,15)
InChIKeyUDUZYWIGTCGCFH-UHFFFAOYSA-N
XLogP2.69
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-5,7-dichloro-3-ethoxyimino-1H-indol-2-one?
The IUPAC name of (3E)-5,7-dichloro-3-ethoxyimino-1H-indol-2-one (CID 135950881) is (3E)-5,7-dichloro-3-ethoxyimino-1H-indol-2-one.
What is the SMILES notation for (3E)-5,7-dichloro-3-ethoxyimino-1H-indol-2-one?
The canonical SMILES for (3E)-5,7-dichloro-3-ethoxyimino-1H-indol-2-one is CCO/N=C1/C(=O)Nc2c(Cl)cc(Cl)cc21.
What is the InChIKey of (3E)-5,7-dichloro-3-ethoxyimino-1H-indol-2-one?
The InChIKey is UDUZYWIGTCGCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2/c1-2-16-14-9-6-3-5(11)4-7(12)8(6)13-10(9)15/h3-4H,2H2,1H3,(H,13,14,15).
What are the key properties of (3E)-5,7-dichloro-3-ethoxyimino-1H-indol-2-one?
(3E)-5,7-dichloro-3-ethoxyimino-1H-indol-2-one has a molecular weight of 259.09 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5,7-dichloro-3-ethoxyimino-1H-indol-2-one is sourced from PubChem (CID 135950881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).