2-[2-(4-bromophenoxy)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C15H19BrN2O2 — CID 82862695

IUPAC2-[2-(4-bromophenoxy)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CCC2CN(CCOc3ccc(Br)cc3)CCN12
InChIInChI=1S/C15H19BrN2O2/c16-12-1-4-14(5-2-12)20-10-9-17-7-8-18-13(11-17)3-6-15(18)19/h1-2,4-5,13H,3,6-11H2
InChIKeyNQBMHUAMXFHQIQ-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.13
Rot. Bonds4

About 2-[2-(4-bromophenoxy)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-[2-(4-bromophenoxy)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82862695) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-[2-(4-bromophenoxy)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[2-(4-bromophenoxy)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82862695
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name2-[2-(4-bromophenoxy)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESO=C1CCC2CN(CCOc3ccc(Br)cc3)CCN12
InChIInChI=1S/C15H19BrN2O2/c16-12-1-4-14(5-2-12)20-10-9-17-7-8-18-13(11-17)3-6-15(18)19/h1-2,4-5,13H,3,6-11H2
InChIKeyNQBMHUAMXFHQIQ-UHFFFAOYSA-N
XLogP2.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(4-bromophenoxy)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one with MolForge

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Related Compounds

3-[2-(4-bromophenoxy)ethyl]-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79090456
4-[2-(4-bromophenoxy)ethyl]-1-methylpiperazin-2-one
CID 64694771
1-[2-(4-bromophenoxy)ethyl]piperidin-3-ol
CID 60644915
2-[(4-bromo-2-chlorophenyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 113343618
2-[(5-bromo-2-methoxyphenyl)methyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863802
1-[2-(4-bromophenoxy)ethyl]-4-[5-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]pentyl]piperazine
CID 56955385
1-[2-(4-bromophenoxy)ethyl]piperidin-4-ol
CID 39423005
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
CID 60644690
(3S)-1-[2-(4-bromophenoxy)ethyl]-3-methylpiperazine
CID 104977117
1-[2-(4-bromophenoxy)ethyl]piperazine-2,6-dione
CID 66062841
2-[4-[2-(4-bromophenoxy)ethyl]piperazin-1-yl]acetic acid
CID 43521824
2-benzyl-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 10492024

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromophenoxy)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[2-(4-bromophenoxy)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82862695) is 2-[2-(4-bromophenoxy)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[2-(4-bromophenoxy)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[2-(4-bromophenoxy)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is O=C1CCC2CN(CCOc3ccc(Br)cc3)CCN12.
What is the InChIKey of 2-[2-(4-bromophenoxy)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is NQBMHUAMXFHQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c16-12-1-4-14(5-2-12)20-10-9-17-7-8-18-13(11-17)3-6-15(18)19/h1-2,4-5,13H,3,6-11H2.
What are the key properties of 2-[2-(4-bromophenoxy)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-[2-(4-bromophenoxy)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 339.23 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromophenoxy)ethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82862695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).