(1R,8S)-1-(3-bromophenyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

C13H14BrNO — CID 101479998

IUPAC(1R,8S)-1-(3-bromophenyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1C[C@H](c2cccc(Br)c2)[C@@H]2CCCN12
InChIInChI=1S/C13H14BrNO/c14-10-4-1-3-9(7-10)11-8-13(16)15-6-2-5-12(11)15/h1,3-4,7,11-12H,2,5-6,8H2/t11-,12+/m1/s1
InChIKeyRUVJKSYIXDEHTF-NEPJUHHUSA-N
MW280.16 g/mol
LogP2.93
Rot. Bonds1

About (1R,8S)-1-(3-bromophenyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one

(1R,8S)-1-(3-bromophenyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (PubChem CID 101479998) has the molecular formula C13H14BrNO and a molecular weight of 280.16 g/mol. Its IUPAC name is (1R,8S)-1-(3-bromophenyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.

Molecular Properties

Compound Name(1R,8S)-1-(3-bromophenyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
PubChem CID101479998
Molecular FormulaC13H14BrNO
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC Name(1R,8S)-1-(3-bromophenyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
SMILESO=C1C[C@H](c2cccc(Br)c2)[C@@H]2CCCN12
InChIInChI=1S/C13H14BrNO/c14-10-4-1-3-9(7-10)11-8-13(16)15-6-2-5-12(11)15/h1,3-4,7,11-12H,2,5-6,8H2/t11-,12+/m1/s1
InChIKeyRUVJKSYIXDEHTF-NEPJUHHUSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,8S)-1-(3-bromophenyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

3-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)benzoic acid
CID 82623748
1-(3-methoxyphenyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 71301946
2-(3-bromophenyl)-1-(3-chlorophenyl)pyrrolidine
CID 84611002
2-(3-bromophenyl)-1-(2-chlorophenyl)pyrrolidine
CID 84611001
1-[3-fluoro-5-(trifluoromethyl)phenyl]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 145232895
(3S)-3-(3-bromophenyl)-1-methylpyrrolidine-2,5-dione
CID 98056157
(1R)-2-(3-bromophenyl)cyclopentan-1-ol
CID 172622901
4-[2-(3-bromophenyl)pyrrolidin-1-yl]-2,3,5,6-tetrafluoropyridine
CID 133371579
6-(3-bromophenyl)piperidine-2,4-dione
CID 83825931
2-(3-bromophenyl)-1-(3-chloropropylsulfonyl)pyrrolidine
CID 54877163
4-[[2-(3-bromophenyl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122021512
3-[3-[2-(3-bromophenyl)pyrrolidin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 47057220

Frequently Asked Questions

What is the IUPAC name of (1R,8S)-1-(3-bromophenyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The IUPAC name of (1R,8S)-1-(3-bromophenyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one (CID 101479998) is (1R,8S)-1-(3-bromophenyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one.
What is the SMILES notation for (1R,8S)-1-(3-bromophenyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The canonical SMILES for (1R,8S)-1-(3-bromophenyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is O=C1C[C@H](c2cccc(Br)c2)[C@@H]2CCCN12.
What is the InChIKey of (1R,8S)-1-(3-bromophenyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
The InChIKey is RUVJKSYIXDEHTF-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H14BrNO/c14-10-4-1-3-9(7-10)11-8-13(16)15-6-2-5-12(11)15/h1,3-4,7,11-12H,2,5-6,8H2/t11-,12+/m1/s1.
What are the key properties of (1R,8S)-1-(3-bromophenyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one?
(1R,8S)-1-(3-bromophenyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one has a molecular weight of 280.16 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-1-(3-bromophenyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one is sourced from PubChem (CID 101479998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).