5-chloro-6-methyl-1-pent-4-enyl-3-phenylpyrazin-2-one

C16H17ClN2O — CID 10880754

IUPAC5-chloro-6-methyl-1-pent-4-enyl-3-phenylpyrazin-2-one
SMILESC=CCCCn1c(C)c(Cl)nc(-c2ccccc2)c1=O
InChIInChI=1S/C16H17ClN2O/c1-3-4-8-11-19-12(2)15(17)18-14(16(19)20)13-9-6-5-7-10-13/h3,5-7,9-10H,1,4,8,11H2,2H3
InChIKeyCLTSVUOQQQXIRU-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.84
Rot. Bonds5

About 5-chloro-6-methyl-1-pent-4-enyl-3-phenylpyrazin-2-one

5-chloro-6-methyl-1-pent-4-enyl-3-phenylpyrazin-2-one (PubChem CID 10880754) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 5-chloro-6-methyl-1-pent-4-enyl-3-phenylpyrazin-2-one.

Molecular Properties

Compound Name5-chloro-6-methyl-1-pent-4-enyl-3-phenylpyrazin-2-one
PubChem CID10880754
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name5-chloro-6-methyl-1-pent-4-enyl-3-phenylpyrazin-2-one
SMILESC=CCCCn1c(C)c(Cl)nc(-c2ccccc2)c1=O
InChIInChI=1S/C16H17ClN2O/c1-3-4-8-11-19-12(2)15(17)18-14(16(19)20)13-9-6-5-7-10-13/h3,5-7,9-10H,1,4,8,11H2,2H3
InChIKeyCLTSVUOQQQXIRU-UHFFFAOYSA-N
XLogP3.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.84
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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Related Compounds

1-pent-4-enyl-3-phenylpyrazin-2-one
CID 71374293
6-chloro-2-methyl-3-pent-4-enylpyrimidin-4-one
CID 114581760
3-phenyl-1-prop-2-enylquinoxalin-2-one
CID 67231173
2-methyl-5-pent-4-enyl-4-phenyl-1,3-oxazole
CID 45098002
1-benzyl-5-chloro-6-methyl-3-(methylamino)pyrazin-2-one
CID 142172858
3-(3-methylphenyl)-1-prop-2-enylquinoxalin-2-one
CID 158009502
1,3-bis(hex-5-enyl)benzimidazol-2-one
CID 155329274
2-(4-chlorophenyl)-4-(3-hydroxypropyl)pyrido[2,3-b]pyrazin-3-one;4-(2-hydroxyethyl)-2-phenylpyrido[2,3-b]pyrazin-3-one
CID 157166412
1,3-bis(oct-7-enyl)benzimidazol-2-one
CID 155329209
5-chloro-6-methyl-3-phenyl-1,4-oxazin-2-one
CID 11401775
3,5-dichloro-6-phenyl-1-propylpyrazin-2-one
CID 102534412
1-butyl-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-5-methyl-2-phenylimidazole
CID 142815100

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-1-pent-4-enyl-3-phenylpyrazin-2-one?
The IUPAC name of 5-chloro-6-methyl-1-pent-4-enyl-3-phenylpyrazin-2-one (CID 10880754) is 5-chloro-6-methyl-1-pent-4-enyl-3-phenylpyrazin-2-one.
What is the SMILES notation for 5-chloro-6-methyl-1-pent-4-enyl-3-phenylpyrazin-2-one?
The canonical SMILES for 5-chloro-6-methyl-1-pent-4-enyl-3-phenylpyrazin-2-one is C=CCCCn1c(C)c(Cl)nc(-c2ccccc2)c1=O.
What is the InChIKey of 5-chloro-6-methyl-1-pent-4-enyl-3-phenylpyrazin-2-one?
The InChIKey is CLTSVUOQQQXIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-3-4-8-11-19-12(2)15(17)18-14(16(19)20)13-9-6-5-7-10-13/h3,5-7,9-10H,1,4,8,11H2,2H3.
What are the key properties of 5-chloro-6-methyl-1-pent-4-enyl-3-phenylpyrazin-2-one?
5-chloro-6-methyl-1-pent-4-enyl-3-phenylpyrazin-2-one has a molecular weight of 288.78 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-1-pent-4-enyl-3-phenylpyrazin-2-one is sourced from PubChem (CID 10880754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).