ethane;1-methylpyrrole-2,5-dione;1-methylpyrrolidine-2,5-dione;propane

C15H26N2O4 — CID 143382307

IUPACethane;1-methylpyrrole-2,5-dione;1-methylpyrrolidine-2,5-dione;propane
SMILESCC.CCC.CN1C(=O)C=CC1=O.CN1C(=O)CCC1=O
InChIInChI=1S/C5H7NO2.C5H5NO2.C3H8.C2H6/c2*1-6-4(7)2-3-5(6)8;1-3-2;1-2/h2-3H2,1H3;2-3H,1H3;3H2,1-2H3;1-2H3
InChIKeyCBPLIASHCLOWIC-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.75
Rot. Bonds

About ethane;1-methylpyrrole-2,5-dione;1-methylpyrrolidine-2,5-dione;propane

ethane;1-methylpyrrole-2,5-dione;1-methylpyrrolidine-2,5-dione;propane (PubChem CID 143382307) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is ethane;1-methylpyrrole-2,5-dione;1-methylpyrrolidine-2,5-dione;propane.

Molecular Properties

Compound Nameethane;1-methylpyrrole-2,5-dione;1-methylpyrrolidine-2,5-dione;propane
PubChem CID143382307
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nameethane;1-methylpyrrole-2,5-dione;1-methylpyrrolidine-2,5-dione;propane
SMILESCC.CCC.CN1C(=O)C=CC1=O.CN1C(=O)CCC1=O
InChIInChI=1S/C5H7NO2.C5H5NO2.C3H8.C2H6/c2*1-6-4(7)2-3-5(6)8;1-3-2;1-2/h2-3H2,1H3;2-3H,1H3;3H2,1-2H3;1-2H3
InChIKeyCBPLIASHCLOWIC-UHFFFAOYSA-N
XLogP1.75
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pyrrolidin-2-one, N-crotonoyl-
CID 5365844
1-[2-(2,5-Dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione
CID 162745275
N-(gamma-maleimidobutyryl)succinimide
CID 17961676
N-(beta-maleimidopropionyl)succinimide
CID 129758333
1-But-2-enoylpyrrolidin-2-one
CID 549610
1-[1-(2,5-Dioxopyrrolidin-1-yl)-1-oxopropan-2-yl]pyrrole-2,5-dione
CID 14839830
1-Methylpyrrolidine-2,5-dione;pyrrole-2,5-dione
CID 19793657
N-[4-(2,5-dioxopyrrolidin-1-yl)-4-oxobutyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 57552398
1-[4-(3-Methyl-2,5-dioxopyrrolidin-1-yl)butyl]pyrrole-2,5-dione
CID 57669636
1-[4-(3-Ethyl-2,5-dioxopyrrolidin-1-yl)butyl]pyrrole-2,5-dione
CID 57673826
1-[1-(2,5-Dioxopyrrolidin-1-yl)ethyl]pyrrole-2,5-dione
CID 57823962
1-[6-(3-Methyl-2,5-dioxopyrrolidin-1-yl)hexyl]pyrrole-2,5-dione
CID 68271549

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylpyrrole-2,5-dione;1-methylpyrrolidine-2,5-dione;propane?
The IUPAC name of ethane;1-methylpyrrole-2,5-dione;1-methylpyrrolidine-2,5-dione;propane (CID 143382307) is ethane;1-methylpyrrole-2,5-dione;1-methylpyrrolidine-2,5-dione;propane.
What is the SMILES notation for ethane;1-methylpyrrole-2,5-dione;1-methylpyrrolidine-2,5-dione;propane?
The canonical SMILES for ethane;1-methylpyrrole-2,5-dione;1-methylpyrrolidine-2,5-dione;propane is CC.CCC.CN1C(=O)C=CC1=O.CN1C(=O)CCC1=O.
What is the InChIKey of ethane;1-methylpyrrole-2,5-dione;1-methylpyrrolidine-2,5-dione;propane?
The InChIKey is CBPLIASHCLOWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2.C5H5NO2.C3H8.C2H6/c2*1-6-4(7)2-3-5(6)8;1-3-2;1-2/h2-3H2,1H3;2-3H,1H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;1-methylpyrrole-2,5-dione;1-methylpyrrolidine-2,5-dione;propane?
ethane;1-methylpyrrole-2,5-dione;1-methylpyrrolidine-2,5-dione;propane has a molecular weight of 298.38 g/mol, XLogP of 1.75, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylpyrrole-2,5-dione;1-methylpyrrolidine-2,5-dione;propane is sourced from PubChem (CID 143382307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).