1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide

C13H19N3O2 — CID 143768649

IUPAC1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESC=CC1=C(C)N(C)CCN1C(=O)C1(C(N)=O)CC1
InChIInChI=1S/C13H19N3O2/c1-4-10-9(2)15(3)7-8-16(10)12(18)13(5-6-13)11(14)17/h4H,1,5-8H2,2-3H3,(H2,14,17)
InChIKeyCRCNUAOFHYEWTM-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.44
Rot. Bonds3

About 1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide

1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 143768649) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID143768649
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide
SMILESC=CC1=C(C)N(C)CCN1C(=O)C1(C(N)=O)CC1
InChIInChI=1S/C13H19N3O2/c1-4-10-9(2)15(3)7-8-16(10)12(18)13(5-6-13)11(14)17/h4H,1,5-8H2,2-3H3,(H2,14,17)
InChIKeyCRCNUAOFHYEWTM-UHFFFAOYSA-N
XLogP0.44
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide (CID 143768649) is 1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide is C=CC1=C(C)N(C)CCN1C(=O)C1(C(N)=O)CC1.
What is the InChIKey of 1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is CRCNUAOFHYEWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-4-10-9(2)15(3)7-8-16(10)12(18)13(5-6-13)11(14)17/h4H,1,5-8H2,2-3H3,(H2,14,17).
What are the key properties of 1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide?
1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 143768649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).