3-(1-aminoethyl)pyrrole-2,5-dione

C6H8N2O2 — CID 18003992

IUPAC3-(1-aminoethyl)pyrrole-2,5-dione
SMILESCC(N)C1=CC(=O)NC1=O
InChIInChI=1S/C6H8N2O2/c1-3(7)4-2-5(9)8-6(4)10/h2-3H,7H2,1H3,(H,8,9,10)
InChIKeyBYGSVPBOVXGBHQ-UHFFFAOYSA-N
MW140.14 g/mol
LogP-1.08
Rot. Bonds1

About 3-(1-aminoethyl)pyrrole-2,5-dione

3-(1-aminoethyl)pyrrole-2,5-dione (PubChem CID 18003992) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 3-(1-aminoethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-aminoethyl)pyrrole-2,5-dione
PubChem CID18003992
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name3-(1-aminoethyl)pyrrole-2,5-dione
SMILESCC(N)C1=CC(=O)NC1=O
InChIInChI=1S/C6H8N2O2/c1-3(7)4-2-5(9)8-6(4)10/h2-3H,7H2,1H3,(H,8,9,10)
InChIKeyBYGSVPBOVXGBHQ-UHFFFAOYSA-N
XLogP-1.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-aminoethyl)pyrrole-2,5-dione (CID 18003992) is 3-(1-aminoethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-aminoethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-aminoethyl)pyrrole-2,5-dione is CC(N)C1=CC(=O)NC1=O.
What is the InChIKey of 3-(1-aminoethyl)pyrrole-2,5-dione?
The InChIKey is BYGSVPBOVXGBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-3(7)4-2-5(9)8-6(4)10/h2-3H,7H2,1H3,(H,8,9,10).
What are the key properties of 3-(1-aminoethyl)pyrrole-2,5-dione?
3-(1-aminoethyl)pyrrole-2,5-dione has a molecular weight of 140.14 g/mol, XLogP of -1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)pyrrole-2,5-dione is sourced from PubChem (CID 18003992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).