7-chloro-1-(oxiran-2-ylmethyl)indole-2,3-dione

C11H8ClNO3 — CID 61355675

IUPAC7-chloro-1-(oxiran-2-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC2CO2)c2c(Cl)cccc21
InChIInChI=1S/C11H8ClNO3/c12-8-3-1-2-7-9(8)13(4-6-5-16-6)11(15)10(7)14/h1-3,6H,4-5H2
InChIKeyRYUQVWXWCMEYPD-UHFFFAOYSA-N
MW237.64 g/mol
LogP1.27
Rot. Bonds2

About 7-chloro-1-(oxiran-2-ylmethyl)indole-2,3-dione

7-chloro-1-(oxiran-2-ylmethyl)indole-2,3-dione (PubChem CID 61355675) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 7-chloro-1-(oxiran-2-ylmethyl)indole-2,3-dione.

Molecular Properties

Compound Name7-chloro-1-(oxiran-2-ylmethyl)indole-2,3-dione
PubChem CID61355675
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name7-chloro-1-(oxiran-2-ylmethyl)indole-2,3-dione
SMILESO=C1C(=O)N(CC2CO2)c2c(Cl)cccc21
InChIInChI=1S/C11H8ClNO3/c12-8-3-1-2-7-9(8)13(4-6-5-16-6)11(15)10(7)14/h1-3,6H,4-5H2
InChIKeyRYUQVWXWCMEYPD-UHFFFAOYSA-N
XLogP1.27
TPSA49.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(oxiran-2-ylmethyl)indole-2,3-dione?
The IUPAC name of 7-chloro-1-(oxiran-2-ylmethyl)indole-2,3-dione (CID 61355675) is 7-chloro-1-(oxiran-2-ylmethyl)indole-2,3-dione.
What is the SMILES notation for 7-chloro-1-(oxiran-2-ylmethyl)indole-2,3-dione?
The canonical SMILES for 7-chloro-1-(oxiran-2-ylmethyl)indole-2,3-dione is O=C1C(=O)N(CC2CO2)c2c(Cl)cccc21.
What is the InChIKey of 7-chloro-1-(oxiran-2-ylmethyl)indole-2,3-dione?
The InChIKey is RYUQVWXWCMEYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c12-8-3-1-2-7-9(8)13(4-6-5-16-6)11(15)10(7)14/h1-3,6H,4-5H2.
What are the key properties of 7-chloro-1-(oxiran-2-ylmethyl)indole-2,3-dione?
7-chloro-1-(oxiran-2-ylmethyl)indole-2,3-dione has a molecular weight of 237.64 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(oxiran-2-ylmethyl)indole-2,3-dione is sourced from PubChem (CID 61355675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).