3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione

C12H16N2O6 — CID 153373419

IUPAC3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione
SMILESCON1C(=O)CCC1=O.O=CCCN1C(=O)C=CC1O
InChIInChI=1S/C7H9NO3.C5H7NO3/c9-5-1-4-8-6(10)2-3-7(8)11;1-9-6-4(7)2-3-5(6)8/h2-3,5-6,10H,1,4H2;2-3H2,1H3
InChIKeyWIYRNONNVGOZBG-UHFFFAOYSA-N
MW284.27 g/mol
LogP-1.01
Rot. Bonds4

About 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione

3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione (PubChem CID 153373419) has the molecular formula C12H16N2O6 and a molecular weight of 284.27 g/mol. Its IUPAC name is 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione
PubChem CID153373419
Molecular FormulaC12H16N2O6
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Name3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione
SMILESCON1C(=O)CCC1=O.O=CCCN1C(=O)C=CC1O
InChIInChI=1S/C7H9NO3.C5H7NO3/c9-5-1-4-8-6(10)2-3-7(8)11;1-9-6-4(7)2-3-5(6)8/h2-3,5-6,10H,1,4H2;2-3H2,1H3
InChIKeyWIYRNONNVGOZBG-UHFFFAOYSA-N
XLogP-1.01
TPSA104.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
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-[(2R)-2-hydroxy-5-oxo-2H-pyrrol-1-yl]propanoate
CID 90175815
(2,5-dioxopyrrolidin-1-yl) 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanoate
CID 132050101
(2,5-dioxopyrrolidin-1-yl) 3-(2-hydroxy-4-methyl-5-oxo-2H-pyrrol-1-yl)propanoate
CID 139381566
3-(2,5-dioxopyrrol-1-yl)propanal;N-methoxy-N-methyl-4-oxobutanamide
CID 142465060
3-(2,5-Dioxopyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione
CID 142492006
(2S)-2-hydroxy-1-(4-oxo-4-pyrrolidin-1-ylbutyl)-2H-pyrrol-5-one
CID 145076807
(2,5-dioxopyrrolidin-1-yl) 4-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)butanoate
CID 146215567
CID 164028136
CID 164028136
(Z)-N-formyl-N-(3-oxopropyl)but-2-enamide;N-methoxy-N-methyl-4-oxobutanamide
CID 170762642

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione?
The IUPAC name of 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione (CID 153373419) is 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione?
The canonical SMILES for 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione is CON1C(=O)CCC1=O.O=CCCN1C(=O)C=CC1O.
What is the InChIKey of 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione?
The InChIKey is WIYRNONNVGOZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3.C5H7NO3/c9-5-1-4-8-6(10)2-3-7(8)11;1-9-6-4(7)2-3-5(6)8/h2-3,5-6,10H,1,4H2;2-3H2,1H3.
What are the key properties of 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione?
3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione has a molecular weight of 284.27 g/mol, XLogP of -1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-5-oxo-2H-pyrrol-1-yl)propanal;1-methoxypyrrolidine-2,5-dione is sourced from PubChem (CID 153373419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).