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

C6H8N2O2 — CID 2778791

IUPAC1-(2-aminoethyl)pyrrole-2,5-dione
SMILESNCCN1C(=O)C=CC1=O
InChIInChI=1S/C6H8N2O2/c7-3-4-8-5(9)1-2-6(8)10/h1-2H,3-4,7H2
InChIKeyODVRLSOMTXGTMX-UHFFFAOYSA-N
MW140.14 g/mol
LogP-1.13
Rot. Bonds2

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

1-(2-aminoethyl)pyrrole-2,5-dione (PubChem CID 2778791) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 1-(2-aminoethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-aminoethyl)pyrrole-2,5-dione
PubChem CID2778791
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name1-(2-aminoethyl)pyrrole-2,5-dione
SMILESNCCN1C(=O)C=CC1=O
InChIInChI=1S/C6H8N2O2/c7-3-4-8-5(9)1-2-6(8)10/h1-2H,3-4,7H2
InChIKeyODVRLSOMTXGTMX-UHFFFAOYSA-N
XLogP-1.13
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-1.13
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-(2-aminoethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(2-aminoethyl)pyrrole-2,5-dione (CID 2778791) is 1-(2-aminoethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-aminoethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(2-aminoethyl)pyrrole-2,5-dione is NCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(2-aminoethyl)pyrrole-2,5-dione?
The InChIKey is ODVRLSOMTXGTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c7-3-4-8-5(9)1-2-6(8)10/h1-2H,3-4,7H2.
What are the key properties of 1-(2-aminoethyl)pyrrole-2,5-dione?
1-(2-aminoethyl)pyrrole-2,5-dione has a molecular weight of 140.14 g/mol, XLogP of -1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)pyrrole-2,5-dione is sourced from PubChem (CID 2778791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).