1-(2-but-3-enoxyethyl)pyrrole-2,5-dione

C10H13NO3 — CID 106402479

IUPAC1-(2-but-3-enoxyethyl)pyrrole-2,5-dione
SMILESC=CCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO3/c1-2-3-7-14-8-6-11-9(12)4-5-10(11)13/h2,4-5H,1,3,6-8H2
InChIKeySXNOLEPYCCIATD-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.50
Rot. Bonds6

About 1-(2-but-3-enoxyethyl)pyrrole-2,5-dione

1-(2-but-3-enoxyethyl)pyrrole-2,5-dione (PubChem CID 106402479) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-but-3-enoxyethyl)pyrrole-2,5-dione
PubChem CID106402479
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-(2-but-3-enoxyethyl)pyrrole-2,5-dione
SMILESC=CCCOCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO3/c1-2-3-7-14-8-6-11-9(12)4-5-10(11)13/h2,4-5H,1,3,6-8H2
InChIKeySXNOLEPYCCIATD-UHFFFAOYSA-N
XLogP0.50
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethyl]pyrrole-2,5-dione;methane
CID 160561289
1-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 132917103
1-pent-4-enylpyrrole-2,5-dione
CID 15519463
1-[2-(2-bromoethoxy)ethyl]pyrrole-2,5-dione
CID 77078224
1-undec-10-enylpyrrole-2,5-dione
CID 86066335
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 137334014
1-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 137334013
1-oct-7-enylpyrrole-2,5-dione
CID 175459396
methane;1-[2-(2-methoxyethoxy)ethyl]pyrrole-2,5-dione
CID 158080299
1-[2-(2-but-2-enoxyethoxy)ethyl]pyrrole-2,5-dione
CID 54425649
1-[3-[3-[3-(2,5-dioxopyrrol-1-yl)propoxy]propoxy]propyl]pyrrole-2,5-dione
CID 18417215
1-[2-[2-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]pyrrole-2,5-dione
CID 139443419

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-but-3-enoxyethyl)pyrrole-2,5-dione (CID 106402479) is 1-(2-but-3-enoxyethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-but-3-enoxyethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-but-3-enoxyethyl)pyrrole-2,5-dione is C=CCCOCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-but-3-enoxyethyl)pyrrole-2,5-dione?
The InChIKey is SXNOLEPYCCIATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-3-7-14-8-6-11-9(12)4-5-10(11)13/h2,4-5H,1,3,6-8H2.
What are the key properties of 1-(2-but-3-enoxyethyl)pyrrole-2,5-dione?
1-(2-but-3-enoxyethyl)pyrrole-2,5-dione has a molecular weight of 195.22 g/mol, XLogP of 0.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethyl)pyrrole-2,5-dione is sourced from PubChem (CID 106402479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).