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

C16H23N3O — CID 103959095

IUPAC2-[2-[(1S)-1-aminopropyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC[C@H](N)c1ccccc1N1CCN2C(=O)CCC2C1
InChIInChI=1S/C16H23N3O/c1-2-14(17)13-5-3-4-6-15(13)18-9-10-19-12(11-18)7-8-16(19)20/h3-6,12,14H,2,7-11,17H2,1H3/t12?,14-/m0/s1
InChIKeyGOFVJDNOJOZYKI-PYMCNQPYSA-N
MW273.38 g/mol
LogP1.91
Rot. Bonds3

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

2-[2-[(1S)-1-aminopropyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 103959095) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[2-[(1S)-1-aminopropyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[2-[(1S)-1-aminopropyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID103959095
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[2-[(1S)-1-aminopropyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCC[C@H](N)c1ccccc1N1CCN2C(=O)CCC2C1
InChIInChI=1S/C16H23N3O/c1-2-14(17)13-5-3-4-6-15(13)18-9-10-19-12(11-18)7-8-16(19)20/h3-6,12,14H,2,7-11,17H2,1H3/t12?,14-/m0/s1
InChIKeyGOFVJDNOJOZYKI-PYMCNQPYSA-N
XLogP1.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-[2-(1-aminoethyl)phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862657
2-[2-[1-(methylamino)propyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 115995408
ethane;2-(2-methylphenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 143850031
(1R)-1-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]propan-1-amine
CID 103959029
1-[2-(4-cyclopropylpiperazin-1-yl)phenyl]propan-1-amine
CID 112677997
1-[2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]propan-1-amine
CID 115995211
1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-amine
CID 112678137
1-[2-(1-aminopropyl)phenyl]pyrrolidin-3-ol
CID 112678103
(1R)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 113358830
(1S)-1-[2-(3,4-dimethylpiperazin-1-yl)phenyl]propan-1-amine
CID 103958918
(1R)-1-[2-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine
CID 113358770
1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 102959014

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S)-1-aminopropyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[2-[(1S)-1-aminopropyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 103959095) is 2-[2-[(1S)-1-aminopropyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[2-[(1S)-1-aminopropyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[2-[(1S)-1-aminopropyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is CC[C@H](N)c1ccccc1N1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-[2-[(1S)-1-aminopropyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is GOFVJDNOJOZYKI-PYMCNQPYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-2-14(17)13-5-3-4-6-15(13)18-9-10-19-12(11-18)7-8-16(19)20/h3-6,12,14H,2,7-11,17H2,1H3/t12?,14-/m0/s1.
What are the key properties of 2-[2-[(1S)-1-aminopropyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-[2-[(1S)-1-aminopropyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 273.38 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S)-1-aminopropyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 103959095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).