3-(2,5-dioxopyrrol-1-yl)propanal

C7H7NO3 — CID 19973393

IUPAC3-(2,5-dioxopyrrol-1-yl)propanal
SMILESO=CCCN1C(=O)C=CC1=O
InChIInChI=1S/C7H7NO3/c9-5-1-4-8-6(10)2-3-7(8)11/h2-3,5H,1,4H2
InChIKeyBUKJIMFRGCHNGI-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.50
Rot. Bonds3

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

3-(2,5-dioxopyrrol-1-yl)propanal (PubChem CID 19973393) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)propanal.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)propanal
PubChem CID19973393
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name3-(2,5-dioxopyrrol-1-yl)propanal
SMILESO=CCCN1C(=O)C=CC1=O
InChIInChI=1S/C7H7NO3/c9-5-1-4-8-6(10)2-3-7(8)11/h2-3,5H,1,4H2
InChIKeyBUKJIMFRGCHNGI-UHFFFAOYSA-N
XLogP-0.50
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)propanal (CID 19973393) is 3-(2,5-dioxopyrrol-1-yl)propanal.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)propanal?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)propanal is O=CCCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)propanal?
The InChIKey is BUKJIMFRGCHNGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c9-5-1-4-8-6(10)2-3-7(8)11/h2-3,5H,1,4H2.
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)propanal?
3-(2,5-dioxopyrrol-1-yl)propanal has a molecular weight of 153.14 g/mol, XLogP of -0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)propanal is sourced from PubChem (CID 19973393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).