2-[2-(aminomethyl)-5-methoxyphenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

C15H21N3O2 — CID 82856938

IUPAC2-[2-(aminomethyl)-5-methoxyphenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCOc1ccc(CN)c(N2CCN3C(=O)CCC3C2)c1
InChIInChI=1S/C15H21N3O2/c1-20-13-4-2-11(9-16)14(8-13)17-6-7-18-12(10-17)3-5-15(18)19/h2,4,8,12H,3,5-7,9-10,16H2,1H3
InChIKeyLVRRPCDWVPXDTR-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.96
Rot. Bonds3

About 2-[2-(aminomethyl)-5-methoxyphenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one

2-[2-(aminomethyl)-5-methoxyphenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82856938) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-methoxyphenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-methoxyphenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82856938
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[2-(aminomethyl)-5-methoxyphenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCOc1ccc(CN)c(N2CCN3C(=O)CCC3C2)c1
InChIInChI=1S/C15H21N3O2/c1-20-13-4-2-11(9-16)14(8-13)17-6-7-18-12(10-17)3-5-15(18)19/h2,4,8,12H,3,5-7,9-10,16H2,1H3
InChIKeyLVRRPCDWVPXDTR-UHFFFAOYSA-N
XLogP0.96
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(aminomethyl)-5-methoxyphenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one with MolForge

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Related Compounds

[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-methoxyphenyl]methanamine
CID 81299811
[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-4-methoxyphenyl]methanamine
CID 81299524
[4-methoxy-2-(3-phenylpyrrolidin-1-yl)phenyl]methanamine
CID 81296527
[4-methoxy-2-(2-methylmorpholin-4-yl)phenyl]methanamine
CID 81298189
4-[2-(aminomethyl)-5-methoxyphenyl]-1-methyl-1,4-diazepan-2-one
CID 102888419
1-[2-(aminomethyl)-5-methoxyphenyl]-1,4-diazepan-5-one
CID 81299535
[2-(2-ethylmorpholin-4-yl)-4-methoxyphenyl]methanamine
CID 81299705
2-(2-amino-5-methoxybenzoyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82856490
2-[4-(aminomethyl)-2,6-difluorophenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82855786
2-[3-(aminomethyl)-5-bromophenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 102814227
ethane;2-(2-methylphenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 143850031
[2-(2-cyclopentylpyrrolidin-1-yl)-4-methoxyphenyl]methanamine
CID 81298987

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-methoxyphenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[2-(aminomethyl)-5-methoxyphenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82856938) is 2-[2-(aminomethyl)-5-methoxyphenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[2-(aminomethyl)-5-methoxyphenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[2-(aminomethyl)-5-methoxyphenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is COc1ccc(CN)c(N2CCN3C(=O)CCC3C2)c1.
What is the InChIKey of 2-[2-(aminomethyl)-5-methoxyphenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is LVRRPCDWVPXDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-20-13-4-2-11(9-16)14(8-13)17-6-7-18-12(10-17)3-5-15(18)19/h2,4,8,12H,3,5-7,9-10,16H2,1H3.
What are the key properties of 2-[2-(aminomethyl)-5-methoxyphenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-[2-(aminomethyl)-5-methoxyphenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 275.35 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-methoxyphenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82856938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).