3-(2,5-dioxopyrrol-1-yl)-N-nitrosopropanamide

C7H7N3O4 — CID 129048679

IUPAC3-(2,5-dioxopyrrol-1-yl)-N-nitrosopropanamide
SMILESO=NNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C7H7N3O4/c11-5(8-9-14)3-4-10-6(12)1-2-7(10)13/h1-2H,3-4H2,(H,8,11,14)
InChIKeyJUZVQRIEQFGGAT-UHFFFAOYSA-N
MW197.15 g/mol
LogP-0.90
Rot. Bonds4

About 3-(2,5-dioxopyrrol-1-yl)-N-nitrosopropanamide

3-(2,5-dioxopyrrol-1-yl)-N-nitrosopropanamide (PubChem CID 129048679) has the molecular formula C7H7N3O4 and a molecular weight of 197.15 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-N-nitrosopropanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-N-nitrosopropanamide
PubChem CID129048679
Molecular FormulaC7H7N3O4
Molecular Weight197.15 g/mol
Exact Mass197.04
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-N-nitrosopropanamide
SMILESO=NNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C7H7N3O4/c11-5(8-9-14)3-4-10-6(12)1-2-7(10)13/h1-2H,3-4H2,(H,8,11,14)
InChIKeyJUZVQRIEQFGGAT-UHFFFAOYSA-N
XLogP-0.90
TPSA95.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-Maleimidopropionic acid hydrazide
CID 4401583
3-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)propanehydrazide hydrochloride
CID 44119989
[3-(2,5-Dioxopyrrol-1-yl)propanoylamino]azanium
CID 59514921
3-(2,5-dioxopyrrol-1-yl)-N-(methylideneamino)propanamide
CID 144490797
3-(2,5-dioxopyrrol-1-yl)-N'-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanehydrazide
CID 166060331
3-(5-oxo-2H-pyrrol-1-yl)propanehydrazide
CID 166942003
3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide
CID 169243830
3-(2,5-dioxopyrrol-1-yl)-N'-methylpropanehydrazide;molecular hydrogen
CID 176992092
3-(2,5-dioxopyrrol-1-yl)-N-(3-hydrazinyl-3-oxopropyl)propanamide
CID 156026763
3-(2,5-dioxopyrrol-1-yl)-N'-ethylpropanehydrazide
CID 169205487

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-nitrosopropanamide?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-N-nitrosopropanamide (CID 129048679) is 3-(2,5-dioxopyrrol-1-yl)-N-nitrosopropanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-N-nitrosopropanamide?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-N-nitrosopropanamide is O=NNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-N-nitrosopropanamide?
The InChIKey is JUZVQRIEQFGGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O4/c11-5(8-9-14)3-4-10-6(12)1-2-7(10)13/h1-2H,3-4H2,(H,8,11,14).
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-N-nitrosopropanamide?
3-(2,5-dioxopyrrol-1-yl)-N-nitrosopropanamide has a molecular weight of 197.15 g/mol, XLogP of -0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-N-nitrosopropanamide is sourced from PubChem (CID 129048679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).