(3-methyl-2-oxo-1H-indol-3-yl) acetate

C11H11NO3 — CID 15832335

IUPAC(3-methyl-2-oxo-1H-indol-3-yl) acetate
SMILESCC(=O)OC1(C)C(=O)Nc2ccccc21
InChIInChI=1S/C11H11NO3/c1-7(13)15-11(2)8-5-3-4-6-9(8)12-10(11)14/h3-6H,1-2H3,(H,12,14)
InChIKeyLNXMBQAIQFNMTG-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.42
Rot. Bonds1

About (3-methyl-2-oxo-1H-indol-3-yl) acetate

(3-methyl-2-oxo-1H-indol-3-yl) acetate (PubChem CID 15832335) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (3-methyl-2-oxo-1H-indol-3-yl) acetate.

Molecular Properties

Compound Name(3-methyl-2-oxo-1H-indol-3-yl) acetate
PubChem CID15832335
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(3-methyl-2-oxo-1H-indol-3-yl) acetate
SMILESCC(=O)OC1(C)C(=O)Nc2ccccc21
InChIInChI=1S/C11H11NO3/c1-7(13)15-11(2)8-5-3-4-6-9(8)12-10(11)14/h3-6H,1-2H3,(H,12,14)
InChIKeyLNXMBQAIQFNMTG-UHFFFAOYSA-N
XLogP1.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 36460
CID 36460
CID 15806
CID 15806
CID 151066
CID 151066
CID 11658413
CID 11658413
CID 14033762
CID 14033762
CID 2801696
CID 2801696
CID 2921040
CID 2921040
CID 281156
CID 281156
CID 646528
CID 646528
CID 609514
CID 609514
CID 2856422
CID 2856422
CID 2972737
CID 2972737

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2-oxo-1H-indol-3-yl) acetate?
The IUPAC name of (3-methyl-2-oxo-1H-indol-3-yl) acetate (CID 15832335) is (3-methyl-2-oxo-1H-indol-3-yl) acetate.
What is the SMILES notation for (3-methyl-2-oxo-1H-indol-3-yl) acetate?
The canonical SMILES for (3-methyl-2-oxo-1H-indol-3-yl) acetate is CC(=O)OC1(C)C(=O)Nc2ccccc21.
What is the InChIKey of (3-methyl-2-oxo-1H-indol-3-yl) acetate?
The InChIKey is LNXMBQAIQFNMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-7(13)15-11(2)8-5-3-4-6-9(8)12-10(11)14/h3-6H,1-2H3,(H,12,14).
What are the key properties of (3-methyl-2-oxo-1H-indol-3-yl) acetate?
(3-methyl-2-oxo-1H-indol-3-yl) acetate has a molecular weight of 205.21 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2-oxo-1H-indol-3-yl) acetate is sourced from PubChem (CID 15832335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).