2-(2,5-dioxopyrrol-1-yl)ethylazanium

C6H9N2O2+ — CID 5195065

IUPAC2-(2,5-dioxopyrrol-1-yl)ethylazanium
SMILES[NH3+]CCN1C(=O)C=CC1=O
InChIInChI=1S/C6H8N2O2/c7-3-4-8-5(9)1-2-6(8)10/h1-2H,3-4,7H2/p+1
InChIKeyODVRLSOMTXGTMX-UHFFFAOYSA-O
MW141.15 g/mol
LogP-1.85
Rot. Bonds2

About 2-(2,5-dioxopyrrol-1-yl)ethylazanium

2-(2,5-dioxopyrrol-1-yl)ethylazanium (PubChem CID 5195065) has the molecular formula C6H9N2O2+ and a molecular weight of 141.15 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)ethylazanium.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)ethylazanium
PubChem CID5195065
Molecular FormulaC6H9N2O2+
Molecular Weight141.15 g/mol
Exact Mass141.07
IUPAC Name2-(2,5-dioxopyrrol-1-yl)ethylazanium
SMILES[NH3+]CCN1C(=O)C=CC1=O
InChIInChI=1S/C6H8N2O2/c7-3-4-8-5(9)1-2-6(8)10/h1-2H,3-4,7H2/p+1
InChIKeyODVRLSOMTXGTMX-UHFFFAOYSA-O
XLogP-1.85
TPSA65.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 5-1.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethylazanium?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethylazanium (CID 5195065) is 2-(2,5-dioxopyrrol-1-yl)ethylazanium.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)ethylazanium?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)ethylazanium is [NH3+]CCN1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)ethylazanium?
The InChIKey is ODVRLSOMTXGTMX-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H8N2O2/c7-3-4-8-5(9)1-2-6(8)10/h1-2H,3-4,7H2/p+1.
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)ethylazanium?
2-(2,5-dioxopyrrol-1-yl)ethylazanium has a molecular weight of 141.15 g/mol, XLogP of -1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)ethylazanium is sourced from PubChem (CID 5195065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).