1-pent-4-enyl-3-phenylpyrazin-2-one

C15H16N2O — CID 71374293

IUPAC1-pent-4-enyl-3-phenylpyrazin-2-one
SMILESC=CCCCn1ccnc(-c2ccccc2)c1=O
InChIInChI=1S/C15H16N2O/c1-2-3-7-11-17-12-10-16-14(15(17)18)13-8-5-4-6-9-13/h2,4-6,8-10,12H,1,3,7,11H2
InChIKeyYVUPGFUAGYEMOE-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.88
Rot. Bonds5

About 1-pent-4-enyl-3-phenylpyrazin-2-one

1-pent-4-enyl-3-phenylpyrazin-2-one (PubChem CID 71374293) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-pent-4-enyl-3-phenylpyrazin-2-one.

Molecular Properties

Compound Name1-pent-4-enyl-3-phenylpyrazin-2-one
PubChem CID71374293
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name1-pent-4-enyl-3-phenylpyrazin-2-one
SMILESC=CCCCn1ccnc(-c2ccccc2)c1=O
InChIInChI=1S/C15H16N2O/c1-2-3-7-11-17-12-10-16-14(15(17)18)13-8-5-4-6-9-13/h2,4-6,8-10,12H,1,3,7,11H2
InChIKeyYVUPGFUAGYEMOE-UHFFFAOYSA-N
XLogP2.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enyl-3-phenylpyrazin-2-one?
The IUPAC name of 1-pent-4-enyl-3-phenylpyrazin-2-one (CID 71374293) is 1-pent-4-enyl-3-phenylpyrazin-2-one.
What is the SMILES notation for 1-pent-4-enyl-3-phenylpyrazin-2-one?
The canonical SMILES for 1-pent-4-enyl-3-phenylpyrazin-2-one is C=CCCCn1ccnc(-c2ccccc2)c1=O.
What is the InChIKey of 1-pent-4-enyl-3-phenylpyrazin-2-one?
The InChIKey is YVUPGFUAGYEMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-2-3-7-11-17-12-10-16-14(15(17)18)13-8-5-4-6-9-13/h2,4-6,8-10,12H,1,3,7,11H2.
What are the key properties of 1-pent-4-enyl-3-phenylpyrazin-2-one?
1-pent-4-enyl-3-phenylpyrazin-2-one has a molecular weight of 240.31 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enyl-3-phenylpyrazin-2-one is sourced from PubChem (CID 71374293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).