1,2-bis(ethenyl)benzene;bis(pyrrole-2,5-dione)

C18H16N2O4 — CID 174896679

IUPAC1,2-bis(ethenyl)benzene;bis(pyrrole-2,5-dione)
SMILESC=Cc1ccccc1C=C.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1
InChIInChI=1S/C10H10.2C4H3NO2/c1-3-9-7-5-6-8-10(9)4-2;2*6-3-1-2-4(7)5-3/h3-8H,1-2H2;2*1-2H,(H,5,6,7)
InChIKeyQSRANTPSRWSAKN-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.37
Rot. Bonds2

About 1,2-bis(ethenyl)benzene;bis(pyrrole-2,5-dione)

1,2-bis(ethenyl)benzene;bis(pyrrole-2,5-dione) (PubChem CID 174896679) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1,2-bis(ethenyl)benzene;bis(pyrrole-2,5-dione).

Molecular Properties

Compound Name1,2-bis(ethenyl)benzene;bis(pyrrole-2,5-dione)
PubChem CID174896679
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name1,2-bis(ethenyl)benzene;bis(pyrrole-2,5-dione)
SMILESC=Cc1ccccc1C=C.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1
InChIInChI=1S/C10H10.2C4H3NO2/c1-3-9-7-5-6-8-10(9)4-2;2*6-3-1-2-4(7)5-3/h3-8H,1-2H2;2*1-2H,(H,5,6,7)
InChIKeyQSRANTPSRWSAKN-UHFFFAOYSA-N
XLogP1.37
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(ethenyl)benzene;bis(pyrrole-2,5-dione)?
The IUPAC name of 1,2-bis(ethenyl)benzene;bis(pyrrole-2,5-dione) (CID 174896679) is 1,2-bis(ethenyl)benzene;bis(pyrrole-2,5-dione).
What is the SMILES notation for 1,2-bis(ethenyl)benzene;bis(pyrrole-2,5-dione)?
The canonical SMILES for 1,2-bis(ethenyl)benzene;bis(pyrrole-2,5-dione) is C=Cc1ccccc1C=C.O=C1C=CC(=O)N1.O=C1C=CC(=O)N1.
What is the InChIKey of 1,2-bis(ethenyl)benzene;bis(pyrrole-2,5-dione)?
The InChIKey is QSRANTPSRWSAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10.2C4H3NO2/c1-3-9-7-5-6-8-10(9)4-2;2*6-3-1-2-4(7)5-3/h3-8H,1-2H2;2*1-2H,(H,5,6,7).
What are the key properties of 1,2-bis(ethenyl)benzene;bis(pyrrole-2,5-dione)?
1,2-bis(ethenyl)benzene;bis(pyrrole-2,5-dione) has a molecular weight of 324.34 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(ethenyl)benzene;bis(pyrrole-2,5-dione) is sourced from PubChem (CID 174896679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).