ethyl 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylate

C10H18N2O2 — CID 13175076

IUPACethyl 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylate
SMILESCCOC(=O)C1CN2CCCC2CN1
InChIInChI=1S/C10H18N2O2/c1-2-14-10(13)9-7-12-5-3-4-8(12)6-11-9/h8-9,11H,2-7H2,1H3
InChIKeyWRGHWTGGZJAABT-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.01
Rot. Bonds2

About ethyl 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylate

ethyl 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylate (PubChem CID 13175076) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is ethyl 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylate
PubChem CID13175076
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameethyl 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylate
SMILESCCOC(=O)C1CN2CCCC2CN1
InChIInChI=1S/C10H18N2O2/c1-2-14-10(13)9-7-12-5-3-4-8(12)6-11-9/h8-9,11H,2-7H2,1H3
InChIKeyWRGHWTGGZJAABT-UHFFFAOYSA-N
XLogP-0.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylate with MolForge

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Related Compounds

Ethyl 1-(propan-2-yl)piperazine-2-carboxylate
CID 10559962
Ethyl 2-[4-[(4,4-difluoropyrrolidin-2-yl)methyl]piperazin-1-yl]acetate
CID 23511818
Ethyl 2-[4-[fluoro(pyrrolidin-2-yl)methyl]piperazin-1-yl]acetate
CID 23512030
ethyl 2-[4-[(S)-fluoro-[(2S)-pyrrolidin-2-yl]methyl]piperazin-1-yl]acetate
CID 141036423
methyl 7,7-difluoro-2,3,4,6,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-3-carboxylate
CID 83854889
Ethyl 3-fluoro-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-2-carboxylate
CID 178863802
Ethyl 6-fluoro-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-2-carboxylate
CID 178870180
Ethyl 4-methylpiperazine-2-carboxylate
CID 12558522
Octahydropyrrolo[1,2-a]pyrazine-3-carboxylic acid
CID 13175077
Ethyl 1-methylpiperazine-2-carboxylate
CID 23043247
Ethyl 2-[4-(pyrrolidin-2-ylmethyl)piperazin-1-yl]acetate
CID 23512541
ethyl(S)-4-methyl-1-piperidin-4-yl-piperazine-2-carboxylate
CID 57807468

Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylate?
The IUPAC name of ethyl 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylate (CID 13175076) is ethyl 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylate.
What is the SMILES notation for ethyl 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylate?
The canonical SMILES for ethyl 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylate is CCOC(=O)C1CN2CCCC2CN1.
What is the InChIKey of ethyl 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylate?
The InChIKey is WRGHWTGGZJAABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-2-14-10(13)9-7-12-5-3-4-8(12)6-11-9/h8-9,11H,2-7H2,1H3.
What are the key properties of ethyl 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylate?
ethyl 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylate has a molecular weight of 198.27 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrazine-3-carboxylate is sourced from PubChem (CID 13175076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).