2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-1-ol

C17H24N2O — CID 79930431

IUPAC2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-1-ol
SMILESCC1CN2CCCC2CN1C1Cc2ccccc2C1O
InChIInChI=1S/C17H24N2O/c1-12-10-18-8-4-6-14(18)11-19(12)16-9-13-5-2-3-7-15(13)17(16)20/h2-3,5,7,12,14,16-17,20H,4,6,8-11H2,1H3
InChIKeyZQKCKQHVOLDJJC-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.81
Rot. Bonds1

About 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-1-ol

2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 79930431) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-1-ol
PubChem CID79930431
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-1-ol
SMILESCC1CN2CCCC2CN1C1Cc2ccccc2C1O
InChIInChI=1S/C17H24N2O/c1-12-10-18-8-4-6-14(18)11-19(12)16-9-13-5-2-3-7-15(13)17(16)20/h2-3,5,7,12,14,16-17,20H,4,6,8-11H2,1H3
InChIKeyZQKCKQHVOLDJJC-UHFFFAOYSA-N
XLogP1.81
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-1-ol with MolForge

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Related Compounds

2-(3,4-dimethylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-ol
CID 63636093
2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclohexan-1-ol
CID 115824897
trans-(1R,2R)-2-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)cyclopentan-1-ol
CID 102734859
3-methyl-2-(2-methylcyclopropyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939100
3-methyl-2-(2-phenylcyclopropyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79916874
2-(4,4-dimethylpiperidin-1-yl)-2,3-dihydro-1H-inden-1-ol
CID 62930073
N-[1-(1-hydroxy-2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-2-methylpropanamide
CID 84598887
2-[3-(2-hydroxyethoxy)piperidin-1-yl]-2,3-dihydro-1H-inden-1-ol
CID 86814537
1-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-4-ol
CID 82965163
(2S)-2-morpholin-4-yl-2,3-dihydro-1H-inden-1-ol
CID 58393444
2-(2-methylpyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 60974611
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)cyclopentane-1-carbonitrile
CID 79938282

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-1-ol (CID 79930431) is 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-1-ol is CC1CN2CCCC2CN1C1Cc2ccccc2C1O.
What is the InChIKey of 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is ZQKCKQHVOLDJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-10-18-8-4-6-14(18)11-19(12)16-9-13-5-2-3-7-15(13)17(16)20/h2-3,5,7,12,14,16-17,20H,4,6,8-11H2,1H3.
What are the key properties of 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-1-ol?
2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 272.39 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 79930431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).