(2E)-2-(1-ethenyl-5-methylpyrazin-2-ylidene)-N-ethylpropanamide

C12H17N3O — CID 164593864

IUPAC(2E)-2-(1-ethenyl-5-methylpyrazin-2-ylidene)-N-ethylpropanamide
SMILESC=CN1C=C(C)N=C/C1=C(/C)C(=O)NCC
InChIInChI=1S/C12H17N3O/c1-5-13-12(16)10(4)11-7-14-9(3)8-15(11)6-2/h6-8H,2,5H2,1,3-4H3,(H,13,16)/b11-10+
InChIKeyRGELZYWFKLYUEE-ZHACJKMWSA-N
MW219.29 g/mol
LogP1.79
Rot. Bonds3

About (2E)-2-(1-ethenyl-5-methylpyrazin-2-ylidene)-N-ethylpropanamide

(2E)-2-(1-ethenyl-5-methylpyrazin-2-ylidene)-N-ethylpropanamide (PubChem CID 164593864) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (2E)-2-(1-ethenyl-5-methylpyrazin-2-ylidene)-N-ethylpropanamide.

Molecular Properties

Compound Name(2E)-2-(1-ethenyl-5-methylpyrazin-2-ylidene)-N-ethylpropanamide
PubChem CID164593864
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(2E)-2-(1-ethenyl-5-methylpyrazin-2-ylidene)-N-ethylpropanamide
SMILESC=CN1C=C(C)N=C/C1=C(/C)C(=O)NCC
InChIInChI=1S/C12H17N3O/c1-5-13-12(16)10(4)11-7-14-9(3)8-15(11)6-2/h6-8H,2,5H2,1,3-4H3,(H,13,16)/b11-10+
InChIKeyRGELZYWFKLYUEE-ZHACJKMWSA-N
XLogP1.79
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(1-ethenyl-5-methylpyrazin-2-ylidene)-N-ethylpropanamide?
The IUPAC name of (2E)-2-(1-ethenyl-5-methylpyrazin-2-ylidene)-N-ethylpropanamide (CID 164593864) is (2E)-2-(1-ethenyl-5-methylpyrazin-2-ylidene)-N-ethylpropanamide.
What is the SMILES notation for (2E)-2-(1-ethenyl-5-methylpyrazin-2-ylidene)-N-ethylpropanamide?
The canonical SMILES for (2E)-2-(1-ethenyl-5-methylpyrazin-2-ylidene)-N-ethylpropanamide is C=CN1C=C(C)N=C/C1=C(/C)C(=O)NCC.
What is the InChIKey of (2E)-2-(1-ethenyl-5-methylpyrazin-2-ylidene)-N-ethylpropanamide?
The InChIKey is RGELZYWFKLYUEE-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H17N3O/c1-5-13-12(16)10(4)11-7-14-9(3)8-15(11)6-2/h6-8H,2,5H2,1,3-4H3,(H,13,16)/b11-10+.
What are the key properties of (2E)-2-(1-ethenyl-5-methylpyrazin-2-ylidene)-N-ethylpropanamide?
(2E)-2-(1-ethenyl-5-methylpyrazin-2-ylidene)-N-ethylpropanamide has a molecular weight of 219.29 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(1-ethenyl-5-methylpyrazin-2-ylidene)-N-ethylpropanamide is sourced from PubChem (CID 164593864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).