3,4-bis(ethenyl)-1-(2-phenylethoxy)pyrrole-2,5-dione

C16H15NO3 — CID 142527936

IUPAC3,4-bis(ethenyl)-1-(2-phenylethoxy)pyrrole-2,5-dione
SMILESC=CC1=C(C=C)C(=O)N(OCCc2ccccc2)C1=O
InChIInChI=1S/C16H15NO3/c1-3-13-14(4-2)16(19)17(15(13)18)20-11-10-12-8-6-5-7-9-12/h3-9H,1-2,10-11H2
InChIKeyWDRCURLBIVUNRV-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.20
Rot. Bonds6

About 3,4-bis(ethenyl)-1-(2-phenylethoxy)pyrrole-2,5-dione

3,4-bis(ethenyl)-1-(2-phenylethoxy)pyrrole-2,5-dione (PubChem CID 142527936) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-1-(2-phenylethoxy)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-bis(ethenyl)-1-(2-phenylethoxy)pyrrole-2,5-dione
PubChem CID142527936
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name3,4-bis(ethenyl)-1-(2-phenylethoxy)pyrrole-2,5-dione
SMILESC=CC1=C(C=C)C(=O)N(OCCc2ccccc2)C1=O
InChIInChI=1S/C16H15NO3/c1-3-13-14(4-2)16(19)17(15(13)18)20-11-10-12-8-6-5-7-9-12/h3-9H,1-2,10-11H2
InChIKeyWDRCURLBIVUNRV-UHFFFAOYSA-N
XLogP2.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(ethenyl)-1-(2-phenylethoxy)pyrrole-2,5-dione?
The IUPAC name of 3,4-bis(ethenyl)-1-(2-phenylethoxy)pyrrole-2,5-dione (CID 142527936) is 3,4-bis(ethenyl)-1-(2-phenylethoxy)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-bis(ethenyl)-1-(2-phenylethoxy)pyrrole-2,5-dione?
The canonical SMILES for 3,4-bis(ethenyl)-1-(2-phenylethoxy)pyrrole-2,5-dione is C=CC1=C(C=C)C(=O)N(OCCc2ccccc2)C1=O.
What is the InChIKey of 3,4-bis(ethenyl)-1-(2-phenylethoxy)pyrrole-2,5-dione?
The InChIKey is WDRCURLBIVUNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-3-13-14(4-2)16(19)17(15(13)18)20-11-10-12-8-6-5-7-9-12/h3-9H,1-2,10-11H2.
What are the key properties of 3,4-bis(ethenyl)-1-(2-phenylethoxy)pyrrole-2,5-dione?
3,4-bis(ethenyl)-1-(2-phenylethoxy)pyrrole-2,5-dione has a molecular weight of 269.30 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-1-(2-phenylethoxy)pyrrole-2,5-dione is sourced from PubChem (CID 142527936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).