ethanamine;1-ethylpyrrole-2,5-dione

C8H14N2O2 — CID 68740479

IUPACethanamine;1-ethylpyrrole-2,5-dione
SMILESCCN.CCN1C(=O)C=CC1=O
InChIInChI=1S/C6H7NO2.C2H7N/c1-2-7-5(8)3-4-6(7)9;1-2-3/h3-4H,2H2,1H3;2-3H2,1H3
InChIKeyRYYOZWSDKKKZNS-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.10
Rot. Bonds1

About ethanamine;1-ethylpyrrole-2,5-dione

ethanamine;1-ethylpyrrole-2,5-dione (PubChem CID 68740479) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is ethanamine;1-ethylpyrrole-2,5-dione.

Molecular Properties

Compound Nameethanamine;1-ethylpyrrole-2,5-dione
PubChem CID68740479
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Nameethanamine;1-ethylpyrrole-2,5-dione
SMILESCCN.CCN1C(=O)C=CC1=O
InChIInChI=1S/C6H7NO2.C2H7N/c1-2-7-5(8)3-4-6(7)9;1-2-3/h3-4H,2H2,1H3;2-3H2,1H3
InChIKeyRYYOZWSDKKKZNS-UHFFFAOYSA-N
XLogP-0.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.10
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 ethanamine;1-ethylpyrrole-2,5-dione?
The IUPAC name of ethanamine;1-ethylpyrrole-2,5-dione (CID 68740479) is ethanamine;1-ethylpyrrole-2,5-dione.
What is the SMILES notation for ethanamine;1-ethylpyrrole-2,5-dione?
The canonical SMILES for ethanamine;1-ethylpyrrole-2,5-dione is CCN.CCN1C(=O)C=CC1=O.
What is the InChIKey of ethanamine;1-ethylpyrrole-2,5-dione?
The InChIKey is RYYOZWSDKKKZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2.C2H7N/c1-2-7-5(8)3-4-6(7)9;1-2-3/h3-4H,2H2,1H3;2-3H2,1H3.
What are the key properties of ethanamine;1-ethylpyrrole-2,5-dione?
ethanamine;1-ethylpyrrole-2,5-dione has a molecular weight of 170.21 g/mol, XLogP of -0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanamine;1-ethylpyrrole-2,5-dione is sourced from PubChem (CID 68740479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).