1-(3-acetyl-2-amino-1H-indol-4-yl)ethanone

C12H12N2O2 — CID 158702400

IUPAC1-(3-acetyl-2-amino-1H-indol-4-yl)ethanone
SMILESCC(=O)c1cccc2[nH]c(N)c(C(C)=O)c12
InChIInChI=1S/C12H12N2O2/c1-6(15)8-4-3-5-9-11(8)10(7(2)16)12(13)14-9/h3-5,14H,13H2,1-2H3
InChIKeyIHRYEBRVZRDIBY-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.16
Rot. Bonds2

About 1-(3-acetyl-2-amino-1H-indol-4-yl)ethanone

1-(3-acetyl-2-amino-1H-indol-4-yl)ethanone (PubChem CID 158702400) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 1-(3-acetyl-2-amino-1H-indol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-acetyl-2-amino-1H-indol-4-yl)ethanone
PubChem CID158702400
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name1-(3-acetyl-2-amino-1H-indol-4-yl)ethanone
SMILESCC(=O)c1cccc2[nH]c(N)c(C(C)=O)c12
InChIInChI=1S/C12H12N2O2/c1-6(15)8-4-3-5-9-11(8)10(7(2)16)12(13)14-9/h3-5,14H,13H2,1-2H3
InChIKeyIHRYEBRVZRDIBY-UHFFFAOYSA-N
XLogP2.16
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-acetyl-2-amino-1H-indol-4-yl)ethanone?
The IUPAC name of 1-(3-acetyl-2-amino-1H-indol-4-yl)ethanone (CID 158702400) is 1-(3-acetyl-2-amino-1H-indol-4-yl)ethanone.
What is the SMILES notation for 1-(3-acetyl-2-amino-1H-indol-4-yl)ethanone?
The canonical SMILES for 1-(3-acetyl-2-amino-1H-indol-4-yl)ethanone is CC(=O)c1cccc2[nH]c(N)c(C(C)=O)c12.
What is the InChIKey of 1-(3-acetyl-2-amino-1H-indol-4-yl)ethanone?
The InChIKey is IHRYEBRVZRDIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-6(15)8-4-3-5-9-11(8)10(7(2)16)12(13)14-9/h3-5,14H,13H2,1-2H3.
What are the key properties of 1-(3-acetyl-2-amino-1H-indol-4-yl)ethanone?
1-(3-acetyl-2-amino-1H-indol-4-yl)ethanone has a molecular weight of 216.24 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetyl-2-amino-1H-indol-4-yl)ethanone is sourced from PubChem (CID 158702400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).