N-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide;ethane;molecular hydrogen

C12H23N3O — CID 178010181

IUPACN-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide;ethane;molecular hydrogen
SMILESC/C=C/CNC(=O)CC1=NCCN=C1.CC.[H][H]
InChIInChI=1S/C10H15N3O.C2H6.H2/c1-2-3-4-13-10(14)7-9-8-11-5-6-12-9;1-2;/h2-3,8H,4-7H2,1H3,(H,13,14);1-2H3;1H/b3-2+;;
InChIKeyNTEJVKOICOBUDL-WTVBWJGASA-N
MW225.34 g/mol
LogP1.87
Rot. Bonds4

About N-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide;ethane;molecular hydrogen

N-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide;ethane;molecular hydrogen (PubChem CID 178010181) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide;ethane;molecular hydrogen.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide;ethane;molecular hydrogen
PubChem CID178010181
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide;ethane;molecular hydrogen
SMILESC/C=C/CNC(=O)CC1=NCCN=C1.CC.[H][H]
InChIInChI=1S/C10H15N3O.C2H6.H2/c1-2-3-4-13-10(14)7-9-8-11-5-6-12-9;1-2;/h2-3,8H,4-7H2,1H3,(H,13,14);1-2H3;1H/b3-2+;;
InChIKeyNTEJVKOICOBUDL-WTVBWJGASA-N
XLogP1.87
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide;ethane;molecular hydrogen?
The IUPAC name of N-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide;ethane;molecular hydrogen (CID 178010181) is N-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide;ethane;molecular hydrogen.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide;ethane;molecular hydrogen?
The canonical SMILES for N-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide;ethane;molecular hydrogen is C/C=C/CNC(=O)CC1=NCCN=C1.CC.[H][H].
What is the InChIKey of N-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide;ethane;molecular hydrogen?
The InChIKey is NTEJVKOICOBUDL-WTVBWJGASA-N. The full InChI is InChI=1S/C10H15N3O.C2H6.H2/c1-2-3-4-13-10(14)7-9-8-11-5-6-12-9;1-2;/h2-3,8H,4-7H2,1H3,(H,13,14);1-2H3;1H/b3-2+;;.
What are the key properties of N-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide;ethane;molecular hydrogen?
N-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide;ethane;molecular hydrogen has a molecular weight of 225.34 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide;ethane;molecular hydrogen is sourced from PubChem (CID 178010181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).