ethyl 1-pyrazin-2-ylpyrrolidine-2-carboxylate

C11H15N3O2 — CID 55208657

IUPACethyl 1-pyrazin-2-ylpyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1cnccn1
InChIInChI=1S/C11H15N3O2/c1-2-16-11(15)9-4-3-7-14(9)10-8-12-5-6-13-10/h5-6,8-9H,2-4,7H2,1H3
InChIKeyISLXBPBVTXYDQE-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.01
Rot. Bonds3

About ethyl 1-pyrazin-2-ylpyrrolidine-2-carboxylate

ethyl 1-pyrazin-2-ylpyrrolidine-2-carboxylate (PubChem CID 55208657) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 1-pyrazin-2-ylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-pyrazin-2-ylpyrrolidine-2-carboxylate
PubChem CID55208657
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Nameethyl 1-pyrazin-2-ylpyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1cnccn1
InChIInChI=1S/C11H15N3O2/c1-2-16-11(15)9-4-3-7-14(9)10-8-12-5-6-13-10/h5-6,8-9H,2-4,7H2,1H3
InChIKeyISLXBPBVTXYDQE-UHFFFAOYSA-N
XLogP1.01
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-pyrazin-2-ylpyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-pyrazin-2-ylpyrrolidine-2-carboxylate (CID 55208657) is ethyl 1-pyrazin-2-ylpyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-pyrazin-2-ylpyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-pyrazin-2-ylpyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1c1cnccn1.
What is the InChIKey of ethyl 1-pyrazin-2-ylpyrrolidine-2-carboxylate?
The InChIKey is ISLXBPBVTXYDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-2-16-11(15)9-4-3-7-14(9)10-8-12-5-6-13-10/h5-6,8-9H,2-4,7H2,1H3.
What are the key properties of ethyl 1-pyrazin-2-ylpyrrolidine-2-carboxylate?
ethyl 1-pyrazin-2-ylpyrrolidine-2-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-pyrazin-2-ylpyrrolidine-2-carboxylate is sourced from PubChem (CID 55208657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).