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

C8H9NO3 — CID 19987079

IUPAC1-(2-ethenoxyethyl)pyrrole-2,5-dione
SMILESC=COCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H9NO3/c1-2-12-6-5-9-7(10)3-4-8(9)11/h2-4H,1,5-6H2
InChIKeyQCMQWIWXPFMEQT-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.07
Rot. Bonds4

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

1-(2-ethenoxyethyl)pyrrole-2,5-dione (PubChem CID 19987079) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 1-(2-ethenoxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-ethenoxyethyl)pyrrole-2,5-dione
PubChem CID19987079
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name1-(2-ethenoxyethyl)pyrrole-2,5-dione
SMILESC=COCCN1C(=O)C=CC1=O
InChIInChI=1S/C8H9NO3/c1-2-12-6-5-9-7(10)3-4-8(9)11/h2-4H,1,5-6H2
InChIKeyQCMQWIWXPFMEQT-UHFFFAOYSA-N
XLogP0.07
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxyethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-ethenoxyethyl)pyrrole-2,5-dione (CID 19987079) is 1-(2-ethenoxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-ethenoxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-ethenoxyethyl)pyrrole-2,5-dione is C=COCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-ethenoxyethyl)pyrrole-2,5-dione?
The InChIKey is QCMQWIWXPFMEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-2-12-6-5-9-7(10)3-4-8(9)11/h2-4H,1,5-6H2.
What are the key properties of 1-(2-ethenoxyethyl)pyrrole-2,5-dione?
1-(2-ethenoxyethyl)pyrrole-2,5-dione has a molecular weight of 167.16 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 19987079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).