8a-(ethoxymethyl)-2-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine

C11H22N2O — CID 176568096

IUPAC8a-(ethoxymethyl)-2-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine
SMILESCCOCC12CCCN1CCN(C)C2
InChIInChI=1S/C11H22N2O/c1-3-14-10-11-5-4-6-13(11)8-7-12(2)9-11/h3-10H2,1-2H3
InChIKeyPFRGZAHREPVTHY-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.80
Rot. Bonds3

About 8a-(ethoxymethyl)-2-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine

8a-(ethoxymethyl)-2-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine (PubChem CID 176568096) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 8a-(ethoxymethyl)-2-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name8a-(ethoxymethyl)-2-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine
PubChem CID176568096
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name8a-(ethoxymethyl)-2-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine
SMILESCCOCC12CCCN1CCN(C)C2
InChIInChI=1S/C11H22N2O/c1-3-14-10-11-5-4-6-13(11)8-7-12(2)9-11/h3-10H2,1-2H3
InChIKeyPFRGZAHREPVTHY-UHFFFAOYSA-N
XLogP0.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

8-(ethoxymethyl)-3,5,6,7-tetrahydro-1H-pyrrolizin-2-one
CID 170411839
(2R)-8-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-ol
CID 177033202
(Z,8S)-8-(ethoxymethyl)-N-methoxy-3,5,6,7-tetrahydro-1H-pyrrolizin-2-imine
CID 176663573
ethane;8-(ethoxymethyl)-2,6-dimethylidene-1,3,5,7-tetrahydropyrrolizine;8-(ethoxymethyl)-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 176926604
ethane;8-(ethoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
CID 169146065
3-(ethoxymethyl)-1-methylpyrrolidin-3-ol
CID 79567375
8-ethyl-1,2,3,5,6,7-hexahydropyrrolizine;hydrofluoride
CID 168881533
ethyl 2-[1-methyl-3-(4-methylpiperazin-1-yl)pyrrolidin-3-yl]acetate
CID 65422517
ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 168942817
[3-(azocan-1-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 62976375
(3S,8S)-8-(ethoxymethyl)-3-(fluoromethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 169255735
8-(prop-1-en-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 170726733

Frequently Asked Questions

What is the IUPAC name of 8a-(ethoxymethyl)-2-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 8a-(ethoxymethyl)-2-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine (CID 176568096) is 8a-(ethoxymethyl)-2-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 8a-(ethoxymethyl)-2-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 8a-(ethoxymethyl)-2-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine is CCOCC12CCCN1CCN(C)C2.
What is the InChIKey of 8a-(ethoxymethyl)-2-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine?
The InChIKey is PFRGZAHREPVTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-14-10-11-5-4-6-13(11)8-7-12(2)9-11/h3-10H2,1-2H3.
What are the key properties of 8a-(ethoxymethyl)-2-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine?
8a-(ethoxymethyl)-2-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine has a molecular weight of 198.31 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8a-(ethoxymethyl)-2-methyl-1,3,4,6,7,8-hexahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 176568096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).