(2,5-dioxopyrrolidin-1-yl) formate;1-propylpyrrole-2,5-dione

C12H14N2O6 — CID 169179100

IUPAC(2,5-dioxopyrrolidin-1-yl) formate;1-propylpyrrole-2,5-dione
SMILESCCCN1C(=O)C=CC1=O.O=CON1C(=O)CCC1=O
InChIInChI=1S/C7H9NO2.C5H5NO4/c1-2-5-8-6(9)3-4-7(8)10;7-3-10-6-4(8)1-2-5(6)9/h3-4H,2,5H2,1H3;3H,1-2H2
InChIKeyIVOCYVLQWACSPJ-UHFFFAOYSA-N
MW282.25 g/mol
LogP-0.46
Rot. Bonds4

About (2,5-dioxopyrrolidin-1-yl) formate;1-propylpyrrole-2,5-dione

(2,5-dioxopyrrolidin-1-yl) formate;1-propylpyrrole-2,5-dione (PubChem CID 169179100) has the molecular formula C12H14N2O6 and a molecular weight of 282.25 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) formate;1-propylpyrrole-2,5-dione.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) formate;1-propylpyrrole-2,5-dione
PubChem CID169179100
Molecular FormulaC12H14N2O6
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name(2,5-dioxopyrrolidin-1-yl) formate;1-propylpyrrole-2,5-dione
SMILESCCCN1C(=O)C=CC1=O.O=CON1C(=O)CCC1=O
InChIInChI=1S/C7H9NO2.C5H5NO4/c1-2-5-8-6(9)3-4-7(8)10;7-3-10-6-4(8)1-2-5(6)9/h3-4H,2,5H2,1H3;3H,1-2H2
InChIKeyIVOCYVLQWACSPJ-UHFFFAOYSA-N
XLogP-0.46
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,5-dioxopyrrolidin-1-yl 3-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanoate
CID 4620597
N-(gamma-Maleimidobutyryloxy)succinimide
CID 133440
Maleimidoacetic acid N-hydroxysuccinimide ester
CID 3299229
N-(gamma-maleimidobutyryl)succinimide
CID 17961676
Succinimidyl maleimidopropionate
CID 18546706
N-(beta-maleimidopropyloxy)succinimide
CID 21868961
(2,5-dioxopyrrolidin-1-yl) (2S)-2-(2,5-dioxopyrrol-1-yl)propanoate
CID 18653285
(2,5-Dioxopyrrol-1-yl) 2-(2,5-dioxopyrrolidin-1-yl)propanoate
CID 18673374
(2,5-Dioxopyrrolidin-1-yl) 3-(2,5-dioxopyrrol-1-yl)butanoate
CID 20082949
1-[4-(2,5-Dioxopyrrolidin-1-yl)oxybutyl]pyrrole-2,5-dione
CID 21660856
1-[4-(2,5-Dioxopyrrolidin-1-yl)oxybutan-2-yl]pyrrole-2,5-dione
CID 22055203
2,5-Dioxopyrrolidin-1-yl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate
CID 22389997

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) formate;1-propylpyrrole-2,5-dione?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) formate;1-propylpyrrole-2,5-dione (CID 169179100) is (2,5-dioxopyrrolidin-1-yl) formate;1-propylpyrrole-2,5-dione.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) formate;1-propylpyrrole-2,5-dione?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) formate;1-propylpyrrole-2,5-dione is CCCN1C(=O)C=CC1=O.O=CON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) formate;1-propylpyrrole-2,5-dione?
The InChIKey is IVOCYVLQWACSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2.C5H5NO4/c1-2-5-8-6(9)3-4-7(8)10;7-3-10-6-4(8)1-2-5(6)9/h3-4H,2,5H2,1H3;3H,1-2H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) formate;1-propylpyrrole-2,5-dione?
(2,5-dioxopyrrolidin-1-yl) formate;1-propylpyrrole-2,5-dione has a molecular weight of 282.25 g/mol, XLogP of -0.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) formate;1-propylpyrrole-2,5-dione is sourced from PubChem (CID 169179100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).