1-(aminomethyl)pyrrole-2,5-dione

C5H6N2O2 — CID 21299453

IUPAC1-(aminomethyl)pyrrole-2,5-dione
SMILESNCN1C(=O)C=CC1=O
InChIInChI=1S/C5H6N2O2/c6-3-7-4(8)1-2-5(7)9/h1-2H,3,6H2
InChIKeyISZOKDHEULOWBX-UHFFFAOYSA-N
MW126.11 g/mol
LogP-1.17
Rot. Bonds1

About 1-(aminomethyl)pyrrole-2,5-dione

1-(aminomethyl)pyrrole-2,5-dione (PubChem CID 21299453) has the molecular formula C5H6N2O2 and a molecular weight of 126.11 g/mol. Its IUPAC name is 1-(aminomethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(aminomethyl)pyrrole-2,5-dione
PubChem CID21299453
Molecular FormulaC5H6N2O2
Molecular Weight126.11 g/mol
Exact Mass126.04
IUPAC Name1-(aminomethyl)pyrrole-2,5-dione
SMILESNCN1C(=O)C=CC1=O
InChIInChI=1S/C5H6N2O2/c6-3-7-4(8)1-2-5(7)9/h1-2H,3,6H2
InChIKeyISZOKDHEULOWBX-UHFFFAOYSA-N
XLogP-1.17
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.11
LogP ≤ 5-1.17
H-Bond Donors ≤ 51
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 1-(aminomethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(aminomethyl)pyrrole-2,5-dione (CID 21299453) is 1-(aminomethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(aminomethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(aminomethyl)pyrrole-2,5-dione is NCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(aminomethyl)pyrrole-2,5-dione?
The InChIKey is ISZOKDHEULOWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2/c6-3-7-4(8)1-2-5(7)9/h1-2H,3,6H2.
What are the key properties of 1-(aminomethyl)pyrrole-2,5-dione?
1-(aminomethyl)pyrrole-2,5-dione has a molecular weight of 126.11 g/mol, XLogP of -1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)pyrrole-2,5-dione is sourced from PubChem (CID 21299453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).