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

C15H21N3O — CID 82862657

IUPAC2-[2-(1-aminoethyl)phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC(N)c1ccccc1N1CCN2C(=O)CCC2C1
InChIInChI=1S/C15H21N3O/c1-11(16)13-4-2-3-5-14(13)17-8-9-18-12(10-17)6-7-15(18)19/h2-5,11-12H,6-10,16H2,1H3
InChIKeyNFNYFXOLKYERRD-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.52
Rot. Bonds2

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

2-[2-(1-aminoethyl)phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 82862657) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID82862657
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[2-(1-aminoethyl)phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC(N)c1ccccc1N1CCN2C(=O)CCC2C1
InChIInChI=1S/C15H21N3O/c1-11(16)13-4-2-3-5-14(13)17-8-9-18-12(10-17)6-7-15(18)19/h2-5,11-12H,6-10,16H2,1H3
InChIKeyNFNYFXOLKYERRD-UHFFFAOYSA-N
XLogP1.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[2-(1-aminoethyl)phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 82862657) is 2-[2-(1-aminoethyl)phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[2-(1-aminoethyl)phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[2-(1-aminoethyl)phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is CC(N)c1ccccc1N1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-[2-(1-aminoethyl)phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is NFNYFXOLKYERRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(16)13-4-2-3-5-14(13)17-8-9-18-12(10-17)6-7-15(18)19/h2-5,11-12H,6-10,16H2,1H3.
What are the key properties of 2-[2-(1-aminoethyl)phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-[2-(1-aminoethyl)phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 259.35 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 82862657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).