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

C15H25N3O2 — CID 143768648

IUPACethane;1-(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.CC
InChIInChI=1S/C13H19N3O2.C2H6/c1-4-10-9(2)15(3)7-8-16(10)12(18)13(5-6-13)11(14)17;1-2/h4H,1,5-8H2,2-3H3,(H2,14,17);1-2H3
InChIKeyVVHQUXSVBAFFHZ-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.47
Rot. Bonds3

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

ethane;1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide (PubChem CID 143768648) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethane;1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nameethane;1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide
PubChem CID143768648
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nameethane;1-(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.CC
InChIInChI=1S/C13H19N3O2.C2H6/c1-4-10-9(2)15(3)7-8-16(10)12(18)13(5-6-13)11(14)17;1-2/h4H,1,5-8H2,2-3H3,(H2,14,17);1-2H3
InChIKeyVVHQUXSVBAFFHZ-UHFFFAOYSA-N
XLogP1.47
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.47
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 ethane;1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide?
The IUPAC name of ethane;1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide (CID 143768648) is ethane;1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide.
What is the SMILES notation for ethane;1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide?
The canonical SMILES for ethane;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.CC.
What is the InChIKey of ethane;1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide?
The InChIKey is VVHQUXSVBAFFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.C2H6/c1-4-10-9(2)15(3)7-8-16(10)12(18)13(5-6-13)11(14)17;1-2/h4H,1,5-8H2,2-3H3,(H2,14,17);1-2H3.
What are the key properties of ethane;1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide?
ethane;1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(6-ethenyl-4,5-dimethyl-2,3-dihydropyrazine-1-carbonyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 143768648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).