6,7-dichloro-3-nitroso-1,3-dihydroindol-2-one

C8H4Cl2N2O2 — CID 91268679

IUPAC6,7-dichloro-3-nitroso-1,3-dihydroindol-2-one
SMILESO=NC1C(=O)Nc2c1ccc(Cl)c2Cl
InChIInChI=1S/C8H4Cl2N2O2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12-14/h1-2,7H,(H,11,13)
InChIKeyBRCXDQBDNVIIAO-UHFFFAOYSA-N
MW231.04 g/mol
LogP2.75
Rot. Bonds1

About 6,7-dichloro-3-nitroso-1,3-dihydroindol-2-one

6,7-dichloro-3-nitroso-1,3-dihydroindol-2-one (PubChem CID 91268679) has the molecular formula C8H4Cl2N2O2 and a molecular weight of 231.04 g/mol. Its IUPAC name is 6,7-dichloro-3-nitroso-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6,7-dichloro-3-nitroso-1,3-dihydroindol-2-one
PubChem CID91268679
Molecular FormulaC8H4Cl2N2O2
Molecular Weight231.04 g/mol
Exact Mass229.96
IUPAC Name6,7-dichloro-3-nitroso-1,3-dihydroindol-2-one
SMILESO=NC1C(=O)Nc2c1ccc(Cl)c2Cl
InChIInChI=1S/C8H4Cl2N2O2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12-14/h1-2,7H,(H,11,13)
InChIKeyBRCXDQBDNVIIAO-UHFFFAOYSA-N
XLogP2.75
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.04
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-3-nitroso-1,3-dihydroindol-2-one?
The IUPAC name of 6,7-dichloro-3-nitroso-1,3-dihydroindol-2-one (CID 91268679) is 6,7-dichloro-3-nitroso-1,3-dihydroindol-2-one.
What is the SMILES notation for 6,7-dichloro-3-nitroso-1,3-dihydroindol-2-one?
The canonical SMILES for 6,7-dichloro-3-nitroso-1,3-dihydroindol-2-one is O=NC1C(=O)Nc2c1ccc(Cl)c2Cl.
What is the InChIKey of 6,7-dichloro-3-nitroso-1,3-dihydroindol-2-one?
The InChIKey is BRCXDQBDNVIIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12-14/h1-2,7H,(H,11,13).
What are the key properties of 6,7-dichloro-3-nitroso-1,3-dihydroindol-2-one?
6,7-dichloro-3-nitroso-1,3-dihydroindol-2-one has a molecular weight of 231.04 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-3-nitroso-1,3-dihydroindol-2-one is sourced from PubChem (CID 91268679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).