1-[2,6-bis(prop-2-enyl)phenyl]pyrrole-2,5-dione

C16H15NO2 — CID 70255225

IUPAC1-[2,6-bis(prop-2-enyl)phenyl]pyrrole-2,5-dione
SMILESC=CCc1cccc(CC=C)c1N1C(=O)C=CC1=O
InChIInChI=1S/C16H15NO2/c1-3-6-12-8-5-9-13(7-4-2)16(12)17-14(18)10-11-15(17)19/h3-5,8-11H,1-2,6-7H2
InChIKeyZJDQGXXJYBMCJU-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.57
Rot. Bonds5

About 1-[2,6-bis(prop-2-enyl)phenyl]pyrrole-2,5-dione

1-[2,6-bis(prop-2-enyl)phenyl]pyrrole-2,5-dione (PubChem CID 70255225) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-[2,6-bis(prop-2-enyl)phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2,6-bis(prop-2-enyl)phenyl]pyrrole-2,5-dione
PubChem CID70255225
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name1-[2,6-bis(prop-2-enyl)phenyl]pyrrole-2,5-dione
SMILESC=CCc1cccc(CC=C)c1N1C(=O)C=CC1=O
InChIInChI=1S/C16H15NO2/c1-3-6-12-8-5-9-13(7-4-2)16(12)17-14(18)10-11-15(17)19/h3-5,8-11H,1-2,6-7H2
InChIKeyZJDQGXXJYBMCJU-UHFFFAOYSA-N
XLogP2.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Acetyl-2,6-xylidine
CID 16616
1,1'-(Methylenedi-p-phenylene)bismaleimide
CID 83648
N-(4-Methylphenyl)maleimide
CID 15399
N-2-Tolylmaleimide
CID 19989
4,8-Dimethyl-2-hydroxyquinoline
CID 220708
1-(2,3-Dimethylphenyl)-1H-pyrrole-2,5-dione
CID 93153
1-(1,1'-Biphenyl)-4-yl-1H-pyrrole-2,5-dione
CID 42797
1-(2,6-diethylphenyl)-1H-pyrrole-2,5-dione
CID 300890
N-(4-Ethylphenyl)maleimide
CID 522624
N-(2,4-Xylyl)maleimide
CID 699498
N-(2-Ethylphenyl)maleimide
CID 704937
1-(2,6-Dimethylphenyl)pyrrole-2,5-dione
CID 236791

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-bis(prop-2-enyl)phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2,6-bis(prop-2-enyl)phenyl]pyrrole-2,5-dione (CID 70255225) is 1-[2,6-bis(prop-2-enyl)phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2,6-bis(prop-2-enyl)phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2,6-bis(prop-2-enyl)phenyl]pyrrole-2,5-dione is C=CCc1cccc(CC=C)c1N1C(=O)C=CC1=O.
What is the InChIKey of 1-[2,6-bis(prop-2-enyl)phenyl]pyrrole-2,5-dione?
The InChIKey is ZJDQGXXJYBMCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-3-6-12-8-5-9-13(7-4-2)16(12)17-14(18)10-11-15(17)19/h3-5,8-11H,1-2,6-7H2.
What are the key properties of 1-[2,6-bis(prop-2-enyl)phenyl]pyrrole-2,5-dione?
1-[2,6-bis(prop-2-enyl)phenyl]pyrrole-2,5-dione has a molecular weight of 253.30 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-bis(prop-2-enyl)phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 70255225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).