6-pyrrolidin-1-ylpyrazine-2-carbaldehyde

C9H11N3O — CID 87957649

IUPAC6-pyrrolidin-1-ylpyrazine-2-carbaldehyde
SMILESO=Cc1cncc(N2CCCC2)n1
InChIInChI=1S/C9H11N3O/c13-7-8-5-10-6-9(11-8)12-3-1-2-4-12/h5-7H,1-4H2
InChIKeyCGBUFKPKZIXXEL-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.89
Rot. Bonds2

About 6-pyrrolidin-1-ylpyrazine-2-carbaldehyde

6-pyrrolidin-1-ylpyrazine-2-carbaldehyde (PubChem CID 87957649) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 6-pyrrolidin-1-ylpyrazine-2-carbaldehyde.

Molecular Properties

Compound Name6-pyrrolidin-1-ylpyrazine-2-carbaldehyde
PubChem CID87957649
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name6-pyrrolidin-1-ylpyrazine-2-carbaldehyde
SMILESO=Cc1cncc(N2CCCC2)n1
InChIInChI=1S/C9H11N3O/c13-7-8-5-10-6-9(11-8)12-3-1-2-4-12/h5-7H,1-4H2
InChIKeyCGBUFKPKZIXXEL-UHFFFAOYSA-N
XLogP0.89
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-pyrrolidin-1-ylpyrazine-2-carbaldehyde?
The IUPAC name of 6-pyrrolidin-1-ylpyrazine-2-carbaldehyde (CID 87957649) is 6-pyrrolidin-1-ylpyrazine-2-carbaldehyde.
What is the SMILES notation for 6-pyrrolidin-1-ylpyrazine-2-carbaldehyde?
The canonical SMILES for 6-pyrrolidin-1-ylpyrazine-2-carbaldehyde is O=Cc1cncc(N2CCCC2)n1.
What is the InChIKey of 6-pyrrolidin-1-ylpyrazine-2-carbaldehyde?
The InChIKey is CGBUFKPKZIXXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c13-7-8-5-10-6-9(11-8)12-3-1-2-4-12/h5-7H,1-4H2.
What are the key properties of 6-pyrrolidin-1-ylpyrazine-2-carbaldehyde?
6-pyrrolidin-1-ylpyrazine-2-carbaldehyde has a molecular weight of 177.21 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrrolidin-1-ylpyrazine-2-carbaldehyde is sourced from PubChem (CID 87957649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).