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

C15H15ClN2O — CID 15498466

IUPAC5-chloro-1-pent-4-enyl-3-phenylpyrazin-2-one
SMILESC=CCCCn1cc(Cl)nc(-c2ccccc2)c1=O
InChIInChI=1S/C15H15ClN2O/c1-2-3-7-10-18-11-13(16)17-14(15(18)19)12-8-5-4-6-9-12/h2,4-6,8-9,11H,1,3,7,10H2
InChIKeyMIBBEWZPYDLHLQ-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.53
Rot. Bonds5

About 5-chloro-1-pent-4-enyl-3-phenylpyrazin-2-one

5-chloro-1-pent-4-enyl-3-phenylpyrazin-2-one (PubChem CID 15498466) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 5-chloro-1-pent-4-enyl-3-phenylpyrazin-2-one.

Molecular Properties

Compound Name5-chloro-1-pent-4-enyl-3-phenylpyrazin-2-one
PubChem CID15498466
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name5-chloro-1-pent-4-enyl-3-phenylpyrazin-2-one
SMILESC=CCCCn1cc(Cl)nc(-c2ccccc2)c1=O
InChIInChI=1S/C15H15ClN2O/c1-2-3-7-10-18-11-13(16)17-14(15(18)19)12-8-5-4-6-9-12/h2,4-6,8-9,11H,1,3,7,10H2
InChIKeyMIBBEWZPYDLHLQ-UHFFFAOYSA-N
XLogP3.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.53
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 5-chloro-1-pent-4-enyl-3-phenylpyrazin-2-one?
The IUPAC name of 5-chloro-1-pent-4-enyl-3-phenylpyrazin-2-one (CID 15498466) is 5-chloro-1-pent-4-enyl-3-phenylpyrazin-2-one.
What is the SMILES notation for 5-chloro-1-pent-4-enyl-3-phenylpyrazin-2-one?
The canonical SMILES for 5-chloro-1-pent-4-enyl-3-phenylpyrazin-2-one is C=CCCCn1cc(Cl)nc(-c2ccccc2)c1=O.
What is the InChIKey of 5-chloro-1-pent-4-enyl-3-phenylpyrazin-2-one?
The InChIKey is MIBBEWZPYDLHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-2-3-7-10-18-11-13(16)17-14(15(18)19)12-8-5-4-6-9-12/h2,4-6,8-9,11H,1,3,7,10H2.
What are the key properties of 5-chloro-1-pent-4-enyl-3-phenylpyrazin-2-one?
5-chloro-1-pent-4-enyl-3-phenylpyrazin-2-one has a molecular weight of 274.75 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-pent-4-enyl-3-phenylpyrazin-2-one is sourced from PubChem (CID 15498466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).