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

C7H10N2O2 — CID 66927264

IUPAC3-(propylamino)pyrrole-2,5-dione
SMILESCCCNC1=CC(=O)NC1=O
InChIInChI=1S/C7H10N2O2/c1-2-3-8-5-4-6(10)9-7(5)11/h4H,2-3H2,1H3,(H2,8,9,10,11)
InChIKeyHECANXYXPGCONM-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.47
Rot. Bonds3

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

3-(propylamino)pyrrole-2,5-dione (PubChem CID 66927264) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-(propylamino)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(propylamino)pyrrole-2,5-dione
PubChem CID66927264
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-(propylamino)pyrrole-2,5-dione
SMILESCCCNC1=CC(=O)NC1=O
InChIInChI=1S/C7H10N2O2/c1-2-3-8-5-4-6(10)9-7(5)11/h4H,2-3H2,1H3,(H2,8,9,10,11)
InChIKeyHECANXYXPGCONM-UHFFFAOYSA-N
XLogP-0.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.47
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-(propylamino)pyrrole-2,5-dione?
The IUPAC name of 3-(propylamino)pyrrole-2,5-dione (CID 66927264) is 3-(propylamino)pyrrole-2,5-dione.
What is the SMILES notation for 3-(propylamino)pyrrole-2,5-dione?
The canonical SMILES for 3-(propylamino)pyrrole-2,5-dione is CCCNC1=CC(=O)NC1=O.
What is the InChIKey of 3-(propylamino)pyrrole-2,5-dione?
The InChIKey is HECANXYXPGCONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-3-8-5-4-6(10)9-7(5)11/h4H,2-3H2,1H3,(H2,8,9,10,11).
What are the key properties of 3-(propylamino)pyrrole-2,5-dione?
3-(propylamino)pyrrole-2,5-dione has a molecular weight of 154.17 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)pyrrole-2,5-dione is sourced from PubChem (CID 66927264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).