ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate;hydrochloride

C10H15ClN2O2 — CID 133080643

IUPACethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate;hydrochloride
SMILESCCOC(=O)c1cc2n(c1)CCNC2.Cl
InChIInChI=1S/C10H14N2O2.ClH/c1-2-14-10(13)8-5-9-6-11-3-4-12(9)7-8;/h5,7,11H,2-4,6H2,1H3;1H
InChIKeyFKEXHDPJDLSMJV-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.19
Rot. Bonds2

About ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate;hydrochloride

ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate;hydrochloride (PubChem CID 133080643) has the molecular formula C10H15ClN2O2 and a molecular weight of 230.69 g/mol. Its IUPAC name is ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate;hydrochloride
PubChem CID133080643
Molecular FormulaC10H15ClN2O2
Molecular Weight230.69 g/mol
Exact Mass230.08
IUPAC Nameethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate;hydrochloride
SMILESCCOC(=O)c1cc2n(c1)CCNC2.Cl
InChIInChI=1S/C10H14N2O2.ClH/c1-2-14-10(13)8-5-9-6-11-3-4-12(9)7-8;/h5,7,11H,2-4,6H2,1H3;1H
InChIKeyFKEXHDPJDLSMJV-UHFFFAOYSA-N
XLogP1.19
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate;hydrochloride?
The IUPAC name of ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate;hydrochloride (CID 133080643) is ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate;hydrochloride?
The canonical SMILES for ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate;hydrochloride is CCOC(=O)c1cc2n(c1)CCNC2.Cl.
What is the InChIKey of ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate;hydrochloride?
The InChIKey is FKEXHDPJDLSMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2.ClH/c1-2-14-10(13)8-5-9-6-11-3-4-12(9)7-8;/h5,7,11H,2-4,6H2,1H3;1H.
What are the key properties of ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate;hydrochloride?
ethyl 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine-7-carboxylate;hydrochloride has a molecular weight of 230.69 g/mol, XLogP of 1.19, 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-7-carboxylate;hydrochloride is sourced from PubChem (CID 133080643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).