pyrazin-2-yl pyrrolidine-1-carboxylate

C9H11N3O2 — CID 154365192

IUPACpyrazin-2-yl pyrrolidine-1-carboxylate
SMILESO=C(Oc1cnccn1)N1CCCC1
InChIInChI=1S/C9H11N3O2/c13-9(12-5-1-2-6-12)14-8-7-10-3-4-11-8/h3-4,7H,1-2,5-6H2
InChIKeySEQXCUNDWBXRMJ-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.07
Rot. Bonds1

About pyrazin-2-yl pyrrolidine-1-carboxylate

pyrazin-2-yl pyrrolidine-1-carboxylate (PubChem CID 154365192) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is pyrazin-2-yl pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namepyrazin-2-yl pyrrolidine-1-carboxylate
PubChem CID154365192
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Namepyrazin-2-yl pyrrolidine-1-carboxylate
SMILESO=C(Oc1cnccn1)N1CCCC1
InChIInChI=1S/C9H11N3O2/c13-9(12-5-1-2-6-12)14-8-7-10-3-4-11-8/h3-4,7H,1-2,5-6H2
InChIKeySEQXCUNDWBXRMJ-UHFFFAOYSA-N
XLogP1.07
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrazin-2-yl pyrrolidine-1-carboxylate?
The IUPAC name of pyrazin-2-yl pyrrolidine-1-carboxylate (CID 154365192) is pyrazin-2-yl pyrrolidine-1-carboxylate.
What is the SMILES notation for pyrazin-2-yl pyrrolidine-1-carboxylate?
The canonical SMILES for pyrazin-2-yl pyrrolidine-1-carboxylate is O=C(Oc1cnccn1)N1CCCC1.
What is the InChIKey of pyrazin-2-yl pyrrolidine-1-carboxylate?
The InChIKey is SEQXCUNDWBXRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-9(12-5-1-2-6-12)14-8-7-10-3-4-11-8/h3-4,7H,1-2,5-6H2.
What are the key properties of pyrazin-2-yl pyrrolidine-1-carboxylate?
pyrazin-2-yl pyrrolidine-1-carboxylate has a molecular weight of 193.21 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazin-2-yl pyrrolidine-1-carboxylate is sourced from PubChem (CID 154365192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).