ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-3-carboxylate

C10H14N2O2 — CID 131388397

IUPACethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-3-carboxylate
SMILESCCOC(=O)C1Cn2cccc2CN1
InChIInChI=1S/C10H14N2O2/c1-2-14-10(13)9-7-12-5-3-4-8(12)6-11-9/h3-5,9,11H,2,6-7H2,1H3
InChIKeySATDHDGOINTIEO-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.52
Rot. Bonds2

About ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-3-carboxylate

ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-3-carboxylate (PubChem CID 131388397) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-3-carboxylate
PubChem CID131388397
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Nameethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-3-carboxylate
SMILESCCOC(=O)C1Cn2cccc2CN1
InChIInChI=1S/C10H14N2O2/c1-2-14-10(13)9-7-12-5-3-4-8(12)6-11-9/h3-5,9,11H,2,6-7H2,1H3
InChIKeySATDHDGOINTIEO-UHFFFAOYSA-N
XLogP0.52
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-6-carboxylate
CID 131420241
ethyl 4-benzoylpiperazine-2-carboxylate
CID 18412087
ethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 13077382
ethyl 2-(1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-1-yl)acetate
CID 59486375
ethyl 3,4,5,6-tetrahydro-1H-2,5-benzoxazocine-4-carboxylate
CID 72734254
ethyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
CID 153349946
ethyl 4-methylpiperazine-2-carboxylate
CID 12558522
ethyl 3-(3-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-yl)propanoate
CID 123421059
ethyl 2-(3-ethoxycarbonylpiperazin-1-yl)pyrimidine-5-carboxylate
CID 58844943
ethyl (7R)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-7-carboxylate
CID 124708283
diethyl pyrrolidine-2,5-dicarboxylate
CID 13228037
ethyl 1-benzhydrylazetidine-3-carboxylate
CID 3300764

Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-3-carboxylate?
The IUPAC name of ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-3-carboxylate (CID 131388397) is ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-3-carboxylate.
What is the SMILES notation for ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-3-carboxylate?
The canonical SMILES for ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-3-carboxylate is CCOC(=O)C1Cn2cccc2CN1.
What is the InChIKey of ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-3-carboxylate?
The InChIKey is SATDHDGOINTIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-14-10(13)9-7-12-5-3-4-8(12)6-11-9/h3-5,9,11H,2,6-7H2,1H3.
What are the key properties of ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-3-carboxylate?
ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-3-carboxylate has a molecular weight of 194.23 g/mol, XLogP of 0.52, 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-tetrahydropyrrolo[1,2-a]pyrazine-3-carboxylate is sourced from PubChem (CID 131388397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).