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

C10H15N3O — CID 178010182

IUPACN-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide
SMILESC/C=C/CNC(=O)CC1=NCCN=C1
InChIInChI=1S/C10H15N3O/c1-2-3-4-13-10(14)7-9-8-11-5-6-12-9/h2-3,8H,4-7H2,1H3,(H,13,14)/b3-2+
InChIKeyMTMZCCWZURQHAP-NSCUHMNNSA-N
MW193.25 g/mol
LogP0.59
Rot. Bonds4

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

N-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide (PubChem CID 178010182) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide
PubChem CID178010182
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC NameN-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide
SMILESC/C=C/CNC(=O)CC1=NCCN=C1
InChIInChI=1S/C10H15N3O/c1-2-3-4-13-10(14)7-9-8-11-5-6-12-9/h2-3,8H,4-7H2,1H3,(H,13,14)/b3-2+
InChIKeyMTMZCCWZURQHAP-NSCUHMNNSA-N
XLogP0.59
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.59
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?
The IUPAC name of N-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide (CID 178010182) is N-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide?
The canonical SMILES for N-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide is C/C=C/CNC(=O)CC1=NCCN=C1.
What is the InChIKey of N-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide?
The InChIKey is MTMZCCWZURQHAP-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-3-4-13-10(14)7-9-8-11-5-6-12-9/h2-3,8H,4-7H2,1H3,(H,13,14)/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide?
N-[(E)-but-2-enyl]-2-(2,3-dihydropyrazin-5-yl)acetamide has a molecular weight of 193.25 g/mol, XLogP of 0.59, 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 is sourced from PubChem (CID 178010182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).