(2-acetyl-1-methylindol-3-yl) furan-2-carboxylate

C16H13NO4 — CID 805223

IUPAC(2-acetyl-1-methylindol-3-yl) furan-2-carboxylate
SMILESCC(=O)c1c(OC(=O)c2ccco2)c2ccccc2n1C
InChIInChI=1S/C16H13NO4/c1-10(18)14-15(21-16(19)13-8-5-9-20-13)11-6-3-4-7-12(11)17(14)2/h3-9H,1-2H3
InChIKeyAIPGCMWCXBZZQF-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.19
Rot. Bonds3

About (2-acetyl-1-methylindol-3-yl) furan-2-carboxylate

(2-acetyl-1-methylindol-3-yl) furan-2-carboxylate (PubChem CID 805223) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is (2-acetyl-1-methylindol-3-yl) furan-2-carboxylate.

Molecular Properties

Compound Name(2-acetyl-1-methylindol-3-yl) furan-2-carboxylate
PubChem CID805223
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name(2-acetyl-1-methylindol-3-yl) furan-2-carboxylate
SMILESCC(=O)c1c(OC(=O)c2ccco2)c2ccccc2n1C
InChIInChI=1S/C16H13NO4/c1-10(18)14-15(21-16(19)13-8-5-9-20-13)11-6-3-4-7-12(11)17(14)2/h3-9H,1-2H3
InChIKeyAIPGCMWCXBZZQF-UHFFFAOYSA-N
XLogP3.19
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-acetyl-1-methylindol-3-yl) furan-2-carboxylate?
The IUPAC name of (2-acetyl-1-methylindol-3-yl) furan-2-carboxylate (CID 805223) is (2-acetyl-1-methylindol-3-yl) furan-2-carboxylate.
What is the SMILES notation for (2-acetyl-1-methylindol-3-yl) furan-2-carboxylate?
The canonical SMILES for (2-acetyl-1-methylindol-3-yl) furan-2-carboxylate is CC(=O)c1c(OC(=O)c2ccco2)c2ccccc2n1C.
What is the InChIKey of (2-acetyl-1-methylindol-3-yl) furan-2-carboxylate?
The InChIKey is AIPGCMWCXBZZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c1-10(18)14-15(21-16(19)13-8-5-9-20-13)11-6-3-4-7-12(11)17(14)2/h3-9H,1-2H3.
What are the key properties of (2-acetyl-1-methylindol-3-yl) furan-2-carboxylate?
(2-acetyl-1-methylindol-3-yl) furan-2-carboxylate has a molecular weight of 283.28 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyl-1-methylindol-3-yl) furan-2-carboxylate is sourced from PubChem (CID 805223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).