8-bromo-2,5,6,8a-tetrahydro-1H-indolizin-3-one

C8H10BrNO — CID 102277044

IUPAC8-bromo-2,5,6,8a-tetrahydro-1H-indolizin-3-one
SMILESO=C1CCC2C(Br)=CCCN12
InChIInChI=1S/C8H10BrNO/c9-6-2-1-5-10-7(6)3-4-8(10)11/h2,7H,1,3-5H2
InChIKeyOUUHROZTLMRPQZ-UHFFFAOYSA-N
MW216.08 g/mol
LogP1.66
Rot. Bonds

About 8-bromo-2,5,6,8a-tetrahydro-1H-indolizin-3-one

8-bromo-2,5,6,8a-tetrahydro-1H-indolizin-3-one (PubChem CID 102277044) has the molecular formula C8H10BrNO and a molecular weight of 216.08 g/mol. Its IUPAC name is 8-bromo-2,5,6,8a-tetrahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name8-bromo-2,5,6,8a-tetrahydro-1H-indolizin-3-one
PubChem CID102277044
Molecular FormulaC8H10BrNO
Molecular Weight216.08 g/mol
Exact Mass214.99
IUPAC Name8-bromo-2,5,6,8a-tetrahydro-1H-indolizin-3-one
SMILESO=C1CCC2C(Br)=CCCN12
InChIInChI=1S/C8H10BrNO/c9-6-2-1-5-10-7(6)3-4-8(10)11/h2,7H,1,3-5H2
InChIKeyOUUHROZTLMRPQZ-UHFFFAOYSA-N
XLogP1.66
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.08
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Cyclohex-2-en-1-ylpyrrolidin-2-one
CID 14074666
1,5,6,8a-tetrahydro-3(2H)-indolizinone
CID 10887976
(8aS)-2,3,6,8a-tetrahydro-1H-indolizin-5-one
CID 10866395
1-(2-Bromoprop-2-enyl)-5-prop-2-enylpyrrolidin-2-one
CID 12035176
(9Z,10aR)-2,5,6,7,8,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-3-one
CID 44598023
(9Z,10aS)-2,5,6,7,8,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-3-one
CID 45103030
(9Z)-2,5,6,7,8,10a-hexahydro-1H-pyrrolo[1,2-a]azocin-3-one
CID 134979394
(8aR)-2,3,6,8a-tetrahydro-1H-indolizin-5-one
CID 135056050
6-fluoro-2,5,8,8a-tetrahydro-1H-indolizin-3-one
CID 45088451
(5S)-1-[(Z)-2-bromohex-2-enyl]-5-prop-1-en-2-ylpyrrolidin-2-one
CID 10636921
1,2,8,8A-tetrahydroindolizin-3(5H)-one
CID 15857276
2,3,6,8a-tetrahydro-1H-indolizin-5-one
CID 85294881

Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,5,6,8a-tetrahydro-1H-indolizin-3-one?
The IUPAC name of 8-bromo-2,5,6,8a-tetrahydro-1H-indolizin-3-one (CID 102277044) is 8-bromo-2,5,6,8a-tetrahydro-1H-indolizin-3-one.
What is the SMILES notation for 8-bromo-2,5,6,8a-tetrahydro-1H-indolizin-3-one?
The canonical SMILES for 8-bromo-2,5,6,8a-tetrahydro-1H-indolizin-3-one is O=C1CCC2C(Br)=CCCN12.
What is the InChIKey of 8-bromo-2,5,6,8a-tetrahydro-1H-indolizin-3-one?
The InChIKey is OUUHROZTLMRPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO/c9-6-2-1-5-10-7(6)3-4-8(10)11/h2,7H,1,3-5H2.
What are the key properties of 8-bromo-2,5,6,8a-tetrahydro-1H-indolizin-3-one?
8-bromo-2,5,6,8a-tetrahydro-1H-indolizin-3-one has a molecular weight of 216.08 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,5,6,8a-tetrahydro-1H-indolizin-3-one is sourced from PubChem (CID 102277044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).