1-cyclohexyl-2-(1-ethyl-6-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone

C18H33N2O+ — CID 163141124

IUPAC1-cyclohexyl-2-(1-ethyl-6-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone
SMILESCCC1C2CCC(C)N2CC[NH+]1CC(=O)C1CCCCC1
InChIInChI=1S/C18H32N2O/c1-3-16-17-10-9-14(2)20(17)12-11-19(16)13-18(21)15-7-5-4-6-8-15/h14-17H,3-13H2,1-2H3/p+1
InChIKeyPDTNCXQAROJSAV-UHFFFAOYSA-O
MW293.48 g/mol
LogP1.67
Rot. Bonds4

About 1-cyclohexyl-2-(1-ethyl-6-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone

1-cyclohexyl-2-(1-ethyl-6-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone (PubChem CID 163141124) has the molecular formula C18H33N2O+ and a molecular weight of 293.48 g/mol. Its IUPAC name is 1-cyclohexyl-2-(1-ethyl-6-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(1-ethyl-6-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone
PubChem CID163141124
Molecular FormulaC18H33N2O+
Molecular Weight293.48 g/mol
Exact Mass293.26
IUPAC Name1-cyclohexyl-2-(1-ethyl-6-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone
SMILESCCC1C2CCC(C)N2CC[NH+]1CC(=O)C1CCCCC1
InChIInChI=1S/C18H32N2O/c1-3-16-17-10-9-14(2)20(17)12-11-19(16)13-18(21)15-7-5-4-6-8-15/h14-17H,3-13H2,1-2H3/p+1
InChIKeyPDTNCXQAROJSAV-UHFFFAOYSA-O
XLogP1.67
TPSA24.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclohexyl-2-(1-ethyl-6-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(1-ethyl-6-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(1-ethyl-6-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone (CID 163141124) is 1-cyclohexyl-2-(1-ethyl-6-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(1-ethyl-6-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(1-ethyl-6-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone is CCC1C2CCC(C)N2CC[NH+]1CC(=O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-(1-ethyl-6-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone?
The InChIKey is PDTNCXQAROJSAV-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H32N2O/c1-3-16-17-10-9-14(2)20(17)12-11-19(16)13-18(21)15-7-5-4-6-8-15/h14-17H,3-13H2,1-2H3/p+1.
What are the key properties of 1-cyclohexyl-2-(1-ethyl-6-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone?
1-cyclohexyl-2-(1-ethyl-6-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone has a molecular weight of 293.48 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(1-ethyl-6-methyl-1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazin-2-ium-2-yl)ethanone is sourced from PubChem (CID 163141124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).