1-[4-(2,5-dioxopyrrolidin-1-yl)oxybutan-2-yl]pyrrole-2,5-dione

C12H14N2O5 — CID 22055203

IUPAC1-[4-(2,5-dioxopyrrolidin-1-yl)oxybutan-2-yl]pyrrole-2,5-dione
SMILESCC(CCON1C(=O)CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C12H14N2O5/c1-8(13-9(15)2-3-10(13)16)6-7-19-14-11(17)4-5-12(14)18/h2-3,8H,4-7H2,1H3
InChIKeyQVJOAJHDLCIURF-UHFFFAOYSA-N
MW266.25 g/mol
LogP-0.23
Rot. Bonds5

About 1-[4-(2,5-dioxopyrrolidin-1-yl)oxybutan-2-yl]pyrrole-2,5-dione

1-[4-(2,5-dioxopyrrolidin-1-yl)oxybutan-2-yl]pyrrole-2,5-dione (PubChem CID 22055203) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 1-[4-(2,5-dioxopyrrolidin-1-yl)oxybutan-2-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-(2,5-dioxopyrrolidin-1-yl)oxybutan-2-yl]pyrrole-2,5-dione
PubChem CID22055203
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name1-[4-(2,5-dioxopyrrolidin-1-yl)oxybutan-2-yl]pyrrole-2,5-dione
SMILESCC(CCON1C(=O)CCC1=O)N1C(=O)C=CC1=O
InChIInChI=1S/C12H14N2O5/c1-8(13-9(15)2-3-10(13)16)6-7-19-14-11(17)4-5-12(14)18/h2-3,8H,4-7H2,1H3
InChIKeyQVJOAJHDLCIURF-UHFFFAOYSA-N
XLogP-0.23
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[4-(2,5-dioxopyrrolidin-1-yl)oxybutan-2-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-(2,5-dioxopyrrolidin-1-yl)oxybutan-2-yl]pyrrole-2,5-dione (CID 22055203) is 1-[4-(2,5-dioxopyrrolidin-1-yl)oxybutan-2-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-(2,5-dioxopyrrolidin-1-yl)oxybutan-2-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-(2,5-dioxopyrrolidin-1-yl)oxybutan-2-yl]pyrrole-2,5-dione is CC(CCON1C(=O)CCC1=O)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[4-(2,5-dioxopyrrolidin-1-yl)oxybutan-2-yl]pyrrole-2,5-dione?
The InChIKey is QVJOAJHDLCIURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-8(13-9(15)2-3-10(13)16)6-7-19-14-11(17)4-5-12(14)18/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-[4-(2,5-dioxopyrrolidin-1-yl)oxybutan-2-yl]pyrrole-2,5-dione?
1-[4-(2,5-dioxopyrrolidin-1-yl)oxybutan-2-yl]pyrrole-2,5-dione has a molecular weight of 266.25 g/mol, XLogP of -0.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dioxopyrrolidin-1-yl)oxybutan-2-yl]pyrrole-2,5-dione is sourced from PubChem (CID 22055203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).