3-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1-phenyl-2H-pyrrol-5-one

C16H17NO — CID 143813843

IUPAC3-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1-phenyl-2H-pyrrol-5-one
SMILESC/C=C\C=C/C1=C(C)CN(c2ccccc2)C1=O
InChIInChI=1S/C16H17NO/c1-3-4-6-11-15-13(2)12-17(16(15)18)14-9-7-5-8-10-14/h3-11H,12H2,1-2H3/b4-3-,11-6-
InChIKeyWOCDRFRQAOYTCR-ZRTVSTLASA-N
MW239.32 g/mol
LogP3.48
Rot. Bonds3

About 3-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1-phenyl-2H-pyrrol-5-one

3-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1-phenyl-2H-pyrrol-5-one (PubChem CID 143813843) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1-phenyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1-phenyl-2H-pyrrol-5-one
PubChem CID143813843
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1-phenyl-2H-pyrrol-5-one
SMILESC/C=C\C=C/C1=C(C)CN(c2ccccc2)C1=O
InChIInChI=1S/C16H17NO/c1-3-4-6-11-15-13(2)12-17(16(15)18)14-9-7-5-8-10-14/h3-11H,12H2,1-2H3/b4-3-,11-6-
InChIKeyWOCDRFRQAOYTCR-ZRTVSTLASA-N
XLogP3.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-(4-methylphenyl)-3,4-diphenyl-2H-pyrrol-5-one
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1-phenyl-2H-pyrrol-5-one?
The IUPAC name of 3-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1-phenyl-2H-pyrrol-5-one (CID 143813843) is 3-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1-phenyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1-phenyl-2H-pyrrol-5-one?
The canonical SMILES for 3-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1-phenyl-2H-pyrrol-5-one is C/C=C\C=C/C1=C(C)CN(c2ccccc2)C1=O.
What is the InChIKey of 3-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1-phenyl-2H-pyrrol-5-one?
The InChIKey is WOCDRFRQAOYTCR-ZRTVSTLASA-N. The full InChI is InChI=1S/C16H17NO/c1-3-4-6-11-15-13(2)12-17(16(15)18)14-9-7-5-8-10-14/h3-11H,12H2,1-2H3/b4-3-,11-6-.
What are the key properties of 3-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1-phenyl-2H-pyrrol-5-one?
3-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1-phenyl-2H-pyrrol-5-one has a molecular weight of 239.32 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(1Z,3Z)-penta-1,3-dienyl]-1-phenyl-2H-pyrrol-5-one is sourced from PubChem (CID 143813843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).