(1-acetyl-2-methylindol-3-yl) acetate

C13H13NO3 — CID 15565752

IUPAC(1-acetyl-2-methylindol-3-yl) acetate
SMILESCC(=O)Oc1c(C)n(C(C)=O)c2ccccc12
InChIInChI=1S/C13H13NO3/c1-8-13(17-10(3)16)11-6-4-5-7-12(11)14(8)9(2)15/h4-7H,1-3H3
InChIKeyFJEMDHMUVMJHLM-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.54
Rot. Bonds1

About (1-acetyl-2-methylindol-3-yl) acetate

(1-acetyl-2-methylindol-3-yl) acetate (PubChem CID 15565752) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is (1-acetyl-2-methylindol-3-yl) acetate.

Molecular Properties

Compound Name(1-acetyl-2-methylindol-3-yl) acetate
PubChem CID15565752
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name(1-acetyl-2-methylindol-3-yl) acetate
SMILESCC(=O)Oc1c(C)n(C(C)=O)c2ccccc12
InChIInChI=1S/C13H13NO3/c1-8-13(17-10(3)16)11-6-4-5-7-12(11)14(8)9(2)15/h4-7H,1-3H3
InChIKeyFJEMDHMUVMJHLM-UHFFFAOYSA-N
XLogP2.54
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-acetyl-2-methylindol-3-yl) acetate?
The IUPAC name of (1-acetyl-2-methylindol-3-yl) acetate (CID 15565752) is (1-acetyl-2-methylindol-3-yl) acetate.
What is the SMILES notation for (1-acetyl-2-methylindol-3-yl) acetate?
The canonical SMILES for (1-acetyl-2-methylindol-3-yl) acetate is CC(=O)Oc1c(C)n(C(C)=O)c2ccccc12.
What is the InChIKey of (1-acetyl-2-methylindol-3-yl) acetate?
The InChIKey is FJEMDHMUVMJHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-8-13(17-10(3)16)11-6-4-5-7-12(11)14(8)9(2)15/h4-7H,1-3H3.
What are the key properties of (1-acetyl-2-methylindol-3-yl) acetate?
(1-acetyl-2-methylindol-3-yl) acetate has a molecular weight of 231.25 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyl-2-methylindol-3-yl) acetate is sourced from PubChem (CID 15565752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).