3-(2-aminoacetyl)pyrrole-2,5-dione

C6H6N2O3 — CID 18967966

IUPAC3-(2-aminoacetyl)pyrrole-2,5-dione
SMILESNCC(=O)C1=CC(=O)NC1=O
InChIInChI=1S/C6H6N2O3/c7-2-4(9)3-1-5(10)8-6(3)11/h1H,2,7H2,(H,8,10,11)
InChIKeyXGNJDEKPHYQXIE-UHFFFAOYSA-N
MW154.12 g/mol
LogP-1.90
Rot. Bonds2

About 3-(2-aminoacetyl)pyrrole-2,5-dione

3-(2-aminoacetyl)pyrrole-2,5-dione (PubChem CID 18967966) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 3-(2-aminoacetyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2-aminoacetyl)pyrrole-2,5-dione
PubChem CID18967966
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name3-(2-aminoacetyl)pyrrole-2,5-dione
SMILESNCC(=O)C1=CC(=O)NC1=O
InChIInChI=1S/C6H6N2O3/c7-2-4(9)3-1-5(10)8-6(3)11/h1H,2,7H2,(H,8,10,11)
InChIKeyXGNJDEKPHYQXIE-UHFFFAOYSA-N
XLogP-1.90
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-1.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoacetyl)pyrrole-2,5-dione?
The IUPAC name of 3-(2-aminoacetyl)pyrrole-2,5-dione (CID 18967966) is 3-(2-aminoacetyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(2-aminoacetyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(2-aminoacetyl)pyrrole-2,5-dione is NCC(=O)C1=CC(=O)NC1=O.
What is the InChIKey of 3-(2-aminoacetyl)pyrrole-2,5-dione?
The InChIKey is XGNJDEKPHYQXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c7-2-4(9)3-1-5(10)8-6(3)11/h1H,2,7H2,(H,8,10,11).
What are the key properties of 3-(2-aminoacetyl)pyrrole-2,5-dione?
3-(2-aminoacetyl)pyrrole-2,5-dione has a molecular weight of 154.12 g/mol, XLogP of -1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoacetyl)pyrrole-2,5-dione is sourced from PubChem (CID 18967966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).