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

C17H25N3O — CID 115995408

IUPAC2-[2-[1-(methylamino)propyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCCC(NC)c1ccccc1N1CCN2C(=O)CCC2C1
InChIInChI=1S/C17H25N3O/c1-3-15(18-2)14-6-4-5-7-16(14)19-10-11-20-13(12-19)8-9-17(20)21/h4-7,13,15,18H,3,8-12H2,1-2H3
InChIKeyQUTJCXIISVHLMN-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.17
Rot. Bonds4

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

2-[2-[1-(methylamino)propyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (PubChem CID 115995408) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[2-[1-(methylamino)propyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[2-[1-(methylamino)propyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
PubChem CID115995408
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[2-[1-(methylamino)propyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
SMILESCCC(NC)c1ccccc1N1CCN2C(=O)CCC2C1
InChIInChI=1S/C17H25N3O/c1-3-15(18-2)14-6-4-5-7-16(14)19-10-11-20-13(12-19)8-9-17(20)21/h4-7,13,15,18H,3,8-12H2,1-2H3
InChIKeyQUTJCXIISVHLMN-UHFFFAOYSA-N
XLogP2.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-[2-[(1S)-1-aminopropyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 103959095
2-[2-(1-aminoethyl)phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82862657
ethane;2-(2-methylphenyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 143850031
1-[2-[3-(methoxymethyl)pyrrolidin-1-yl]phenyl]-N-methylpropan-1-amine
CID 112678178
[1-[2-[1-(methylamino)propyl]phenyl]piperidin-4-yl]methanol
CID 112677818
1-[2-(2,3-dihydroindol-1-yl)phenyl]-N-methylpropan-1-amine
CID 115994813
1-[2-(4,4-diethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine
CID 115995201
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]phenyl]-N-methylpropan-1-amine
CID 102726801
1-[2-(2-ethylpiperidin-1-yl)phenyl]-N-methylpropan-1-amine
CID 112677835
3-methyl-4-[2-[1-(methylamino)propyl]phenyl]piperazin-2-one
CID 112678132
7-[2-[(1S)-1-hydroxypropyl]phenyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 103960241
N-methyl-1-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]phenyl]propan-1-amine
CID 114490084

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(methylamino)propyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[2-[1-(methylamino)propyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one (CID 115995408) is 2-[2-[1-(methylamino)propyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[2-[1-(methylamino)propyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[2-[1-(methylamino)propyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is CCC(NC)c1ccccc1N1CCN2C(=O)CCC2C1.
What is the InChIKey of 2-[2-[1-(methylamino)propyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
The InChIKey is QUTJCXIISVHLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-15(18-2)14-6-4-5-7-16(14)19-10-11-20-13(12-19)8-9-17(20)21/h4-7,13,15,18H,3,8-12H2,1-2H3.
What are the key properties of 2-[2-[1-(methylamino)propyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one?
2-[2-[1-(methylamino)propyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one has a molecular weight of 287.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(methylamino)propyl]phenyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one is sourced from PubChem (CID 115995408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).