3-(2,5-dioxopyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione

C12H14N2O6 — CID 142492006

IUPAC3-(2,5-dioxopyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione
SMILESCON1C(=O)CCC1=O.O=CCCN1C(=O)C=CC1=O
InChIInChI=1S/C7H7NO3.C5H7NO3/c9-5-1-4-8-6(10)2-3-7(8)11;1-9-6-4(7)2-3-5(6)8/h2-3,5H,1,4H2;2-3H2,1H3
InChIKeyVADIAQRJBJHXQC-UHFFFAOYSA-N
MW282.25 g/mol
LogP-0.80
Rot. Bonds4

About 3-(2,5-dioxopyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione

3-(2,5-dioxopyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione (PubChem CID 142492006) has the molecular formula C12H14N2O6 and a molecular weight of 282.25 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione
PubChem CID142492006
Molecular FormulaC12H14N2O6
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name3-(2,5-dioxopyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione
SMILESCON1C(=O)CCC1=O.O=CCCN1C(=O)C=CC1=O
InChIInChI=1S/C7H7NO3.C5H7NO3/c9-5-1-4-8-6(10)2-3-7(8)11;1-9-6-4(7)2-3-5(6)8/h2-3,5H,1,4H2;2-3H2,1H3
InChIKeyVADIAQRJBJHXQC-UHFFFAOYSA-N
XLogP-0.80
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 ≤ 5-0.80
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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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione (CID 142492006) is 3-(2,5-dioxopyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione is CON1C(=O)CCC1=O.O=CCCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione?
The InChIKey is VADIAQRJBJHXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3.C5H7NO3/c9-5-1-4-8-6(10)2-3-7(8)11;1-9-6-4(7)2-3-5(6)8/h2-3,5H,1,4H2;2-3H2,1H3.
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione?
3-(2,5-dioxopyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione has a molecular weight of 282.25 g/mol, XLogP of -0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione is sourced from PubChem (CID 142492006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).