8-bromo-2,3-dihydro-1H-indolizin-5-one

C8H8BrNO — CID 10656240

IUPAC8-bromo-2,3-dihydro-1H-indolizin-5-one
SMILESO=c1ccc(Br)c2n1CCC2
InChIInChI=1S/C8H8BrNO/c9-6-3-4-8(11)10-5-1-2-7(6)10/h3-4H,1-2,5H2
InChIKeyOGDBKUKFROETQZ-UHFFFAOYSA-N
MW214.06 g/mol
LogP1.56
Rot. Bonds

About 8-bromo-2,3-dihydro-1H-indolizin-5-one

8-bromo-2,3-dihydro-1H-indolizin-5-one (PubChem CID 10656240) has the molecular formula C8H8BrNO and a molecular weight of 214.06 g/mol. Its IUPAC name is 8-bromo-2,3-dihydro-1H-indolizin-5-one.

Molecular Properties

Compound Name8-bromo-2,3-dihydro-1H-indolizin-5-one
PubChem CID10656240
Molecular FormulaC8H8BrNO
Molecular Weight214.06 g/mol
Exact Mass212.98
IUPAC Name8-bromo-2,3-dihydro-1H-indolizin-5-one
SMILESO=c1ccc(Br)c2n1CCC2
InChIInChI=1S/C8H8BrNO/c9-6-3-4-8(11)10-5-1-2-7(6)10/h3-4H,1-2,5H2
InChIKeyOGDBKUKFROETQZ-UHFFFAOYSA-N
XLogP1.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.06
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,3-dihydro-1H-indolizin-5-one?
The IUPAC name of 8-bromo-2,3-dihydro-1H-indolizin-5-one (CID 10656240) is 8-bromo-2,3-dihydro-1H-indolizin-5-one.
What is the SMILES notation for 8-bromo-2,3-dihydro-1H-indolizin-5-one?
The canonical SMILES for 8-bromo-2,3-dihydro-1H-indolizin-5-one is O=c1ccc(Br)c2n1CCC2.
What is the InChIKey of 8-bromo-2,3-dihydro-1H-indolizin-5-one?
The InChIKey is OGDBKUKFROETQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrNO/c9-6-3-4-8(11)10-5-1-2-7(6)10/h3-4H,1-2,5H2.
What are the key properties of 8-bromo-2,3-dihydro-1H-indolizin-5-one?
8-bromo-2,3-dihydro-1H-indolizin-5-one has a molecular weight of 214.06 g/mol, XLogP of 1.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,3-dihydro-1H-indolizin-5-one is sourced from PubChem (CID 10656240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).