2-[1-(chloroamino)ethoxy]isoindole-1,3-dione

C10H9ClN2O3 — CID 88887184

IUPAC2-[1-(chloroamino)ethoxy]isoindole-1,3-dione
SMILESCC(NCl)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H9ClN2O3/c1-6(12-11)16-13-9(14)7-4-2-3-5-8(7)10(13)15/h2-6,12H,1H3
InChIKeyLJGKFIDXJRQTMH-UHFFFAOYSA-N
MW240.65 g/mol
LogP1.30
Rot. Bonds3

About 2-[1-(chloroamino)ethoxy]isoindole-1,3-dione

2-[1-(chloroamino)ethoxy]isoindole-1,3-dione (PubChem CID 88887184) has the molecular formula C10H9ClN2O3 and a molecular weight of 240.65 g/mol. Its IUPAC name is 2-[1-(chloroamino)ethoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-(chloroamino)ethoxy]isoindole-1,3-dione
PubChem CID88887184
Molecular FormulaC10H9ClN2O3
Molecular Weight240.65 g/mol
Exact Mass240.03
IUPAC Name2-[1-(chloroamino)ethoxy]isoindole-1,3-dione
SMILESCC(NCl)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C10H9ClN2O3/c1-6(12-11)16-13-9(14)7-4-2-3-5-8(7)10(13)15/h2-6,12H,1H3
InChIKeyLJGKFIDXJRQTMH-UHFFFAOYSA-N
XLogP1.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.65
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(chloroamino)ethoxy]isoindole-1,3-dione?
The IUPAC name of 2-[1-(chloroamino)ethoxy]isoindole-1,3-dione (CID 88887184) is 2-[1-(chloroamino)ethoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-(chloroamino)ethoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[1-(chloroamino)ethoxy]isoindole-1,3-dione is CC(NCl)ON1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[1-(chloroamino)ethoxy]isoindole-1,3-dione?
The InChIKey is LJGKFIDXJRQTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3/c1-6(12-11)16-13-9(14)7-4-2-3-5-8(7)10(13)15/h2-6,12H,1H3.
What are the key properties of 2-[1-(chloroamino)ethoxy]isoindole-1,3-dione?
2-[1-(chloroamino)ethoxy]isoindole-1,3-dione has a molecular weight of 240.65 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(chloroamino)ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 88887184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).