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

C6H9N3O2 — CID 19783560

IUPAC1-(1,2-diaminoethyl)pyrrole-2,5-dione
SMILESNCC(N)N1C(=O)C=CC1=O
InChIInChI=1S/C6H9N3O2/c7-3-4(8)9-5(10)1-2-6(9)11/h1-2,4H,3,7-8H2
InChIKeyUUCXQMXVDZQGLT-UHFFFAOYSA-N
MW155.16 g/mol
LogP-1.85
Rot. Bonds2

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

1-(1,2-diaminoethyl)pyrrole-2,5-dione (PubChem CID 19783560) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 1-(1,2-diaminoethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1,2-diaminoethyl)pyrrole-2,5-dione
PubChem CID19783560
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name1-(1,2-diaminoethyl)pyrrole-2,5-dione
SMILESNCC(N)N1C(=O)C=CC1=O
InChIInChI=1S/C6H9N3O2/c7-3-4(8)9-5(10)1-2-6(9)11/h1-2,4H,3,7-8H2
InChIKeyUUCXQMXVDZQGLT-UHFFFAOYSA-N
XLogP-1.85
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-1.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1,2-diaminoethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(1,2-diaminoethyl)pyrrole-2,5-dione (CID 19783560) is 1-(1,2-diaminoethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1,2-diaminoethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1,2-diaminoethyl)pyrrole-2,5-dione is NCC(N)N1C(=O)C=CC1=O.
What is the InChIKey of 1-(1,2-diaminoethyl)pyrrole-2,5-dione?
The InChIKey is UUCXQMXVDZQGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c7-3-4(8)9-5(10)1-2-6(9)11/h1-2,4H,3,7-8H2.
What are the key properties of 1-(1,2-diaminoethyl)pyrrole-2,5-dione?
1-(1,2-diaminoethyl)pyrrole-2,5-dione has a molecular weight of 155.16 g/mol, XLogP of -1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diaminoethyl)pyrrole-2,5-dione is sourced from PubChem (CID 19783560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).