(5-oxoniumylidenepyrrolidin-2-ylidene)oxidanium

C4H7NO2+2 — CID 134974680

IUPAC(5-oxoniumylidenepyrrolidin-2-ylidene)oxidanium
SMILES[H]/[O+]=C1\CC/C(=[O+]\[H])N1
InChIInChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)/p+2
InChIKeyKZNICNPSHKQLFF-UHFFFAOYSA-P
MW101.10 g/mol
LogP-0.63
Rot. Bonds

About (5-oxoniumylidenepyrrolidin-2-ylidene)oxidanium

(5-oxoniumylidenepyrrolidin-2-ylidene)oxidanium (PubChem CID 134974680) has the molecular formula C4H7NO2+2 and a molecular weight of 101.10 g/mol. Its IUPAC name is (5-oxoniumylidenepyrrolidin-2-ylidene)oxidanium.

Molecular Properties

Compound Name(5-oxoniumylidenepyrrolidin-2-ylidene)oxidanium
PubChem CID134974680
Molecular FormulaC4H7NO2+2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC Name(5-oxoniumylidenepyrrolidin-2-ylidene)oxidanium
SMILES[H]/[O+]=C1\CC/C(=[O+]\[H])N1
InChIInChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)/p+2
InChIKeyKZNICNPSHKQLFF-UHFFFAOYSA-P
XLogP-0.63
TPSA54.83 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-oxoniumylidenepyrrolidin-2-ylidene)oxidanium?
The IUPAC name of (5-oxoniumylidenepyrrolidin-2-ylidene)oxidanium (CID 134974680) is (5-oxoniumylidenepyrrolidin-2-ylidene)oxidanium.
What is the SMILES notation for (5-oxoniumylidenepyrrolidin-2-ylidene)oxidanium?
The canonical SMILES for (5-oxoniumylidenepyrrolidin-2-ylidene)oxidanium is [H]/[O+]=C1\CC/C(=[O+]\[H])N1.
What is the InChIKey of (5-oxoniumylidenepyrrolidin-2-ylidene)oxidanium?
The InChIKey is KZNICNPSHKQLFF-UHFFFAOYSA-P. The full InChI is InChI=1S/C4H5NO2/c6-3-1-2-4(7)5-3/h1-2H2,(H,5,6,7)/p+2.
What are the key properties of (5-oxoniumylidenepyrrolidin-2-ylidene)oxidanium?
(5-oxoniumylidenepyrrolidin-2-ylidene)oxidanium has a molecular weight of 101.10 g/mol, XLogP of -0.63, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxoniumylidenepyrrolidin-2-ylidene)oxidanium is sourced from PubChem (CID 134974680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).