1-(3-acetyl-1-bromoindolizin-7-yl)ethanone

C12H10BrNO2 — CID 163265382

IUPAC1-(3-acetyl-1-bromoindolizin-7-yl)ethanone
SMILESCC(=O)c1ccn2c(C(C)=O)cc(Br)c2c1
InChIInChI=1S/C12H10BrNO2/c1-7(15)9-3-4-14-11(8(2)16)6-10(13)12(14)5-9/h3-6H,1-2H3
InChIKeyBCFNTFMXEFPYHB-UHFFFAOYSA-N
MW280.12 g/mol
LogP3.11
Rot. Bonds2

About 1-(3-acetyl-1-bromoindolizin-7-yl)ethanone

1-(3-acetyl-1-bromoindolizin-7-yl)ethanone (PubChem CID 163265382) has the molecular formula C12H10BrNO2 and a molecular weight of 280.12 g/mol. Its IUPAC name is 1-(3-acetyl-1-bromoindolizin-7-yl)ethanone.

Molecular Properties

Compound Name1-(3-acetyl-1-bromoindolizin-7-yl)ethanone
PubChem CID163265382
Molecular FormulaC12H10BrNO2
Molecular Weight280.12 g/mol
Exact Mass278.99
IUPAC Name1-(3-acetyl-1-bromoindolizin-7-yl)ethanone
SMILESCC(=O)c1ccn2c(C(C)=O)cc(Br)c2c1
InChIInChI=1S/C12H10BrNO2/c1-7(15)9-3-4-14-11(8(2)16)6-10(13)12(14)5-9/h3-6H,1-2H3
InChIKeyBCFNTFMXEFPYHB-UHFFFAOYSA-N
XLogP3.11
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-acetyl-1-bromoindolizin-7-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetyl-1-bromoindolizin-7-yl)ethanone?
The IUPAC name of 1-(3-acetyl-1-bromoindolizin-7-yl)ethanone (CID 163265382) is 1-(3-acetyl-1-bromoindolizin-7-yl)ethanone.
What is the SMILES notation for 1-(3-acetyl-1-bromoindolizin-7-yl)ethanone?
The canonical SMILES for 1-(3-acetyl-1-bromoindolizin-7-yl)ethanone is CC(=O)c1ccn2c(C(C)=O)cc(Br)c2c1.
What is the InChIKey of 1-(3-acetyl-1-bromoindolizin-7-yl)ethanone?
The InChIKey is BCFNTFMXEFPYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO2/c1-7(15)9-3-4-14-11(8(2)16)6-10(13)12(14)5-9/h3-6H,1-2H3.
What are the key properties of 1-(3-acetyl-1-bromoindolizin-7-yl)ethanone?
1-(3-acetyl-1-bromoindolizin-7-yl)ethanone has a molecular weight of 280.12 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetyl-1-bromoindolizin-7-yl)ethanone is sourced from PubChem (CID 163265382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).