N-(2,5-dioxopyrrol-1-yl)prop-2-enamide

C7H6N2O3 — CID 102422194

IUPACN-(2,5-dioxopyrrol-1-yl)prop-2-enamide
SMILESC=CC(=O)NN1C(=O)C=CC1=O
InChIInChI=1S/C7H6N2O3/c1-2-5(10)8-9-6(11)3-4-7(9)12/h2-4H,1H2,(H,8,10)
InChIKeyTVOYXFICPYULCE-UHFFFAOYSA-N
MW166.14 g/mol
LogP-0.87
Rot. Bonds2

About N-(2,5-dioxopyrrol-1-yl)prop-2-enamide

N-(2,5-dioxopyrrol-1-yl)prop-2-enamide (PubChem CID 102422194) has the molecular formula C7H6N2O3 and a molecular weight of 166.14 g/mol. Its IUPAC name is N-(2,5-dioxopyrrol-1-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2,5-dioxopyrrol-1-yl)prop-2-enamide
PubChem CID102422194
Molecular FormulaC7H6N2O3
Molecular Weight166.14 g/mol
Exact Mass166.04
IUPAC NameN-(2,5-dioxopyrrol-1-yl)prop-2-enamide
SMILESC=CC(=O)NN1C(=O)C=CC1=O
InChIInChI=1S/C7H6N2O3/c1-2-5(10)8-9-6(11)3-4-7(9)12/h2-4H,1H2,(H,8,10)
InChIKeyTVOYXFICPYULCE-UHFFFAOYSA-N
XLogP-0.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxopyrrol-1-yl)prop-2-enamide?
The IUPAC name of N-(2,5-dioxopyrrol-1-yl)prop-2-enamide (CID 102422194) is N-(2,5-dioxopyrrol-1-yl)prop-2-enamide.
What is the SMILES notation for N-(2,5-dioxopyrrol-1-yl)prop-2-enamide?
The canonical SMILES for N-(2,5-dioxopyrrol-1-yl)prop-2-enamide is C=CC(=O)NN1C(=O)C=CC1=O.
What is the InChIKey of N-(2,5-dioxopyrrol-1-yl)prop-2-enamide?
The InChIKey is TVOYXFICPYULCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3/c1-2-5(10)8-9-6(11)3-4-7(9)12/h2-4H,1H2,(H,8,10).
What are the key properties of N-(2,5-dioxopyrrol-1-yl)prop-2-enamide?
N-(2,5-dioxopyrrol-1-yl)prop-2-enamide has a molecular weight of 166.14 g/mol, XLogP of -0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxopyrrol-1-yl)prop-2-enamide is sourced from PubChem (CID 102422194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).