N-(2,5-dioxopyrrol-1-yl)propanamide

C7H8N2O3 — CID 67444117

IUPACN-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCCC(=O)NN1C(=O)C=CC1=O
InChIInChI=1S/C7H8N2O3/c1-2-5(10)8-9-6(11)3-4-7(9)12/h3-4H,2H2,1H3,(H,8,10)
InChIKeyZNALDVNNEBOGGN-UHFFFAOYSA-N
MW168.15 g/mol
LogP-0.65
Rot. Bonds2

About N-(2,5-dioxopyrrol-1-yl)propanamide

N-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 67444117) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is N-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID67444117
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC NameN-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCCC(=O)NN1C(=O)C=CC1=O
InChIInChI=1S/C7H8N2O3/c1-2-5(10)8-9-6(11)3-4-7(9)12/h3-4H,2H2,1H3,(H,8,10)
InChIKeyZNALDVNNEBOGGN-UHFFFAOYSA-N
XLogP-0.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Amino-1H-pyrrole-2,5-dione
CID 574322
3,6-Pyridazinedione, 1-acetyl-1,2-dihydro-
CID 146190
N-(2,5-dioxopyrrol-1-yl)acetamide
CID 12289920
1-(Methylamino)pyrrole-2,5-dione
CID 13828990
1-(Ethylamino)pyrrole-2,5-dione;hydrochloride
CID 18671274
1-(Ethylamino)pyrrole-2,5-dione
CID 18671275
1-Amino-1H-pyrrole-2,5-dione hydrochloride
CID 20213811
(2,5-Dioxopyrrol-1-yl)urea
CID 22915580
1-(Butylamino)pyrrole-2,5-dione
CID 23354887
4-N-acetylbut-2-enedihydrazide
CID 54066922
(2,5-Dioxopyrrol-1-yl)cyanamide
CID 57130435
1-(Propylamino)pyrrole-2,5-dione
CID 57514872

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-(2,5-dioxopyrrol-1-yl)propanamide (CID 67444117) is N-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-(2,5-dioxopyrrol-1-yl)propanamide is CCC(=O)NN1C(=O)C=CC1=O.
What is the InChIKey of N-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is ZNALDVNNEBOGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-2-5(10)8-9-6(11)3-4-7(9)12/h3-4H,2H2,1H3,(H,8,10).
What are the key properties of N-(2,5-dioxopyrrol-1-yl)propanamide?
N-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 168.15 g/mol, XLogP of -0.65, 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)propanamide is sourced from PubChem (CID 67444117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).