1-(2-aminoethyl)-3-methylpyrrole-2,5-dione

C7H10N2O2 — CID 61348436

IUPAC1-(2-aminoethyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CCN)C1=O
InChIInChI=1S/C7H10N2O2/c1-5-4-6(10)9(3-2-8)7(5)11/h4H,2-3,8H2,1H3
InChIKeyLGBAPMAAQCZQLG-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.74
Rot. Bonds2

About 1-(2-aminoethyl)-3-methylpyrrole-2,5-dione

1-(2-aminoethyl)-3-methylpyrrole-2,5-dione (PubChem CID 61348436) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-methylpyrrole-2,5-dione
PubChem CID61348436
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1-(2-aminoethyl)-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(CCN)C1=O
InChIInChI=1S/C7H10N2O2/c1-5-4-6(10)9(3-2-8)7(5)11/h4H,2-3,8H2,1H3
InChIKeyLGBAPMAAQCZQLG-UHFFFAOYSA-N
XLogP-0.74
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.74
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)-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-(2-aminoethyl)-3-methylpyrrole-2,5-dione (CID 61348436) is 1-(2-aminoethyl)-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-(2-aminoethyl)-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-(2-aminoethyl)-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(CCN)C1=O.
What is the InChIKey of 1-(2-aminoethyl)-3-methylpyrrole-2,5-dione?
The InChIKey is LGBAPMAAQCZQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5-4-6(10)9(3-2-8)7(5)11/h4H,2-3,8H2,1H3.
What are the key properties of 1-(2-aminoethyl)-3-methylpyrrole-2,5-dione?
1-(2-aminoethyl)-3-methylpyrrole-2,5-dione has a molecular weight of 154.17 g/mol, XLogP of -0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 61348436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).