methyl 2-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)acetate

C11H10ClNO3 — CID 11172494

IUPACmethyl 2-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)acetate
SMILESCOC(=O)Cc1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C11H10ClNO3/c1-16-11(15)4-6-2-7-3-10(14)13-9(7)5-8(6)12/h2,5H,3-4H2,1H3,(H,13,14)
InChIKeyBFKUQSPOHLUJNO-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.55
Rot. Bonds2

About methyl 2-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)acetate

methyl 2-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)acetate (PubChem CID 11172494) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is methyl 2-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)acetate
PubChem CID11172494
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Namemethyl 2-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)acetate
SMILESCOC(=O)Cc1cc2c(cc1Cl)NC(=O)C2
InChIInChI=1S/C11H10ClNO3/c1-16-11(15)4-6-2-7-3-10(14)13-9(7)5-8(6)12/h2,5H,3-4H2,1H3,(H,13,14)
InChIKeyBFKUQSPOHLUJNO-UHFFFAOYSA-N
XLogP1.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)acetate?
The IUPAC name of methyl 2-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)acetate (CID 11172494) is methyl 2-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)acetate.
What is the SMILES notation for methyl 2-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)acetate?
The canonical SMILES for methyl 2-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)acetate is COC(=O)Cc1cc2c(cc1Cl)NC(=O)C2.
What is the InChIKey of methyl 2-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)acetate?
The InChIKey is BFKUQSPOHLUJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c1-16-11(15)4-6-2-7-3-10(14)13-9(7)5-8(6)12/h2,5H,3-4H2,1H3,(H,13,14).
What are the key properties of methyl 2-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)acetate?
methyl 2-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)acetate has a molecular weight of 239.66 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)acetate is sourced from PubChem (CID 11172494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).