2,3-dimethyl-5-prop-2-enylpyrazine

C9H12N2 — CID 590240

IUPAC2,3-dimethyl-5-prop-2-enylpyrazine
SMILESC=CCc1cnc(C)c(C)n1
InChIInChI=1S/C9H12N2/c1-4-5-9-6-10-7(2)8(3)11-9/h4,6H,1,5H2,2-3H3
InChIKeyWBJYPKOZOKJWSD-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.82
Rot. Bonds2

About 2,3-dimethyl-5-prop-2-enylpyrazine

2,3-dimethyl-5-prop-2-enylpyrazine (PubChem CID 590240) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2,3-dimethyl-5-prop-2-enylpyrazine.

Molecular Properties

Compound Name2,3-dimethyl-5-prop-2-enylpyrazine
PubChem CID590240
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2,3-dimethyl-5-prop-2-enylpyrazine
SMILESC=CCc1cnc(C)c(C)n1
InChIInChI=1S/C9H12N2/c1-4-5-9-6-10-7(2)8(3)11-9/h4,6H,1,5H2,2-3H3
InChIKeyWBJYPKOZOKJWSD-UHFFFAOYSA-N
XLogP1.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-prop-2-enylpyrazine?
The IUPAC name of 2,3-dimethyl-5-prop-2-enylpyrazine (CID 590240) is 2,3-dimethyl-5-prop-2-enylpyrazine.
What is the SMILES notation for 2,3-dimethyl-5-prop-2-enylpyrazine?
The canonical SMILES for 2,3-dimethyl-5-prop-2-enylpyrazine is C=CCc1cnc(C)c(C)n1.
What is the InChIKey of 2,3-dimethyl-5-prop-2-enylpyrazine?
The InChIKey is WBJYPKOZOKJWSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-4-5-9-6-10-7(2)8(3)11-9/h4,6H,1,5H2,2-3H3.
What are the key properties of 2,3-dimethyl-5-prop-2-enylpyrazine?
2,3-dimethyl-5-prop-2-enylpyrazine has a molecular weight of 148.21 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-prop-2-enylpyrazine is sourced from PubChem (CID 590240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).