2-(2,5-dioxopyrrol-1-yl)ethyl-trimethylazanium

C9H15N2O2+ — CID 4115637

IUPAC2-(2,5-dioxopyrrol-1-yl)ethyl-trimethylazanium
SMILESC[N+](C)(C)CCN1C(=O)C=CC1=O
InChIInChI=1S/C9H15N2O2/c1-11(2,3)7-6-10-8(12)4-5-9(10)13/h4-5H,6-7H2,1-3H3/q+1
InChIKeySYYJMLZWTVUUDY-UHFFFAOYSA-N
MW183.23 g/mol
LogP-0.38
Rot. Bonds3

About 2-(2,5-dioxopyrrol-1-yl)ethyl-trimethylazanium

2-(2,5-dioxopyrrol-1-yl)ethyl-trimethylazanium (PubChem CID 4115637) has the molecular formula C9H15N2O2+ and a molecular weight of 183.23 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrol-1-yl)ethyl-trimethylazanium.

Molecular Properties

Compound Name2-(2,5-dioxopyrrol-1-yl)ethyl-trimethylazanium
PubChem CID4115637
Molecular FormulaC9H15N2O2+
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name2-(2,5-dioxopyrrol-1-yl)ethyl-trimethylazanium
SMILESC[N+](C)(C)CCN1C(=O)C=CC1=O
InChIInChI=1S/C9H15N2O2/c1-11(2,3)7-6-10-8(12)4-5-9(10)13/h4-5H,6-7H2,1-3H3/q+1
InChIKeySYYJMLZWTVUUDY-UHFFFAOYSA-N
XLogP-0.38
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl-trimethylazanium?
The IUPAC name of 2-(2,5-dioxopyrrol-1-yl)ethyl-trimethylazanium (CID 4115637) is 2-(2,5-dioxopyrrol-1-yl)ethyl-trimethylazanium.
What is the SMILES notation for 2-(2,5-dioxopyrrol-1-yl)ethyl-trimethylazanium?
The canonical SMILES for 2-(2,5-dioxopyrrol-1-yl)ethyl-trimethylazanium is C[N+](C)(C)CCN1C(=O)C=CC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrol-1-yl)ethyl-trimethylazanium?
The InChIKey is SYYJMLZWTVUUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N2O2/c1-11(2,3)7-6-10-8(12)4-5-9(10)13/h4-5H,6-7H2,1-3H3/q+1.
What are the key properties of 2-(2,5-dioxopyrrol-1-yl)ethyl-trimethylazanium?
2-(2,5-dioxopyrrol-1-yl)ethyl-trimethylazanium has a molecular weight of 183.23 g/mol, XLogP of -0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrol-1-yl)ethyl-trimethylazanium is sourced from PubChem (CID 4115637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).