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

C10H8BrNO — CID 83824567

IUPAC1-(1-bromoindolizin-3-yl)ethanone
SMILESCC(=O)c1cc(Br)c2ccccn12
InChIInChI=1S/C10H8BrNO/c1-7(13)10-6-8(11)9-4-2-3-5-12(9)10/h2-6H,1H3
InChIKeyJRUPGOPJBDXNSA-UHFFFAOYSA-N
MW238.08 g/mol
LogP2.90
Rot. Bonds1

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

1-(1-bromoindolizin-3-yl)ethanone (PubChem CID 83824567) has the molecular formula C10H8BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 1-(1-bromoindolizin-3-yl)ethanone.

Molecular Properties

Compound Name1-(1-bromoindolizin-3-yl)ethanone
PubChem CID83824567
Molecular FormulaC10H8BrNO
Molecular Weight238.08 g/mol
Exact Mass236.98
IUPAC Name1-(1-bromoindolizin-3-yl)ethanone
SMILESCC(=O)c1cc(Br)c2ccccn12
InChIInChI=1S/C10H8BrNO/c1-7(13)10-6-8(11)9-4-2-3-5-12(9)10/h2-6H,1H3
InChIKeyJRUPGOPJBDXNSA-UHFFFAOYSA-N
XLogP2.90
TPSA21.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.08
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-bromoindolizin-3-yl)ethanone?
The IUPAC name of 1-(1-bromoindolizin-3-yl)ethanone (CID 83824567) is 1-(1-bromoindolizin-3-yl)ethanone.
What is the SMILES notation for 1-(1-bromoindolizin-3-yl)ethanone?
The canonical SMILES for 1-(1-bromoindolizin-3-yl)ethanone is CC(=O)c1cc(Br)c2ccccn12.
What is the InChIKey of 1-(1-bromoindolizin-3-yl)ethanone?
The InChIKey is JRUPGOPJBDXNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c1-7(13)10-6-8(11)9-4-2-3-5-12(9)10/h2-6H,1H3.
What are the key properties of 1-(1-bromoindolizin-3-yl)ethanone?
1-(1-bromoindolizin-3-yl)ethanone has a molecular weight of 238.08 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromoindolizin-3-yl)ethanone is sourced from PubChem (CID 83824567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).