1-(2-phenylethenyl)pyrrole-2,5-dione

C12H9NO2 — CID 57168936

IUPAC1-(2-phenylethenyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C=Cc1ccccc1
InChIInChI=1S/C12H9NO2/c14-11-6-7-12(15)13(11)9-8-10-4-2-1-3-5-10/h1-9H
InChIKeyYEYVDYSRGZLDSJ-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.58
Rot. Bonds2

About 1-(2-phenylethenyl)pyrrole-2,5-dione

1-(2-phenylethenyl)pyrrole-2,5-dione (PubChem CID 57168936) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 1-(2-phenylethenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-phenylethenyl)pyrrole-2,5-dione
PubChem CID57168936
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name1-(2-phenylethenyl)pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1C=Cc1ccccc1
InChIInChI=1S/C12H9NO2/c14-11-6-7-12(15)13(11)9-8-10-4-2-1-3-5-10/h1-9H
InChIKeyYEYVDYSRGZLDSJ-UHFFFAOYSA-N
XLogP1.58
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1-[(E)-2-phenylethenyl]azepane
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CID 70569152
1-[(E)-2-phenylethenyl]imidazolidine-2,4-dione
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iodomethane;1-[(E)-2-phenylethenyl]piperidine
CID 20839071
4-[(E)-2-phenylethenyl]-1,4-thiazinane 1,1-dioxide
CID 58283179
4-phenylbuta-1,3-dienylbenzene
CID 162273071
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
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hydride;rubidium(1+);stilbene
CID 173437843

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-phenylethenyl)pyrrole-2,5-dione (CID 57168936) is 1-(2-phenylethenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-phenylethenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-phenylethenyl)pyrrole-2,5-dione is O=C1C=CC(=O)N1C=Cc1ccccc1.
What is the InChIKey of 1-(2-phenylethenyl)pyrrole-2,5-dione?
The InChIKey is YEYVDYSRGZLDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c14-11-6-7-12(15)13(11)9-8-10-4-2-1-3-5-10/h1-9H.
What are the key properties of 1-(2-phenylethenyl)pyrrole-2,5-dione?
1-(2-phenylethenyl)pyrrole-2,5-dione has a molecular weight of 199.21 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethenyl)pyrrole-2,5-dione is sourced from PubChem (CID 57168936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).