1-[1-(1-hydroxyethylamino)ethyl]pyrrolidine-2,5-dione

C8H14N2O3 — CID 149151692

IUPAC1-[1-(1-hydroxyethylamino)ethyl]pyrrolidine-2,5-dione
SMILESCC(O)NC(C)N1C(=O)CCC1=O
InChIInChI=1S/C8H14N2O3/c1-5(9-6(2)11)10-7(12)3-4-8(10)13/h5-6,9,11H,3-4H2,1-2H3
InChIKeyQWYIOEBRPONOCS-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.59
Rot. Bonds3

About 1-[1-(1-hydroxyethylamino)ethyl]pyrrolidine-2,5-dione

1-[1-(1-hydroxyethylamino)ethyl]pyrrolidine-2,5-dione (PubChem CID 149151692) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-[1-(1-hydroxyethylamino)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[1-(1-hydroxyethylamino)ethyl]pyrrolidine-2,5-dione
PubChem CID149151692
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name1-[1-(1-hydroxyethylamino)ethyl]pyrrolidine-2,5-dione
SMILESCC(O)NC(C)N1C(=O)CCC1=O
InChIInChI=1S/C8H14N2O3/c1-5(9-6(2)11)10-7(12)3-4-8(10)13/h5-6,9,11H,3-4H2,1-2H3
InChIKeyQWYIOEBRPONOCS-UHFFFAOYSA-N
XLogP-0.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-hydroxyethylamino)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[1-(1-hydroxyethylamino)ethyl]pyrrolidine-2,5-dione (CID 149151692) is 1-[1-(1-hydroxyethylamino)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[1-(1-hydroxyethylamino)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[1-(1-hydroxyethylamino)ethyl]pyrrolidine-2,5-dione is CC(O)NC(C)N1C(=O)CCC1=O.
What is the InChIKey of 1-[1-(1-hydroxyethylamino)ethyl]pyrrolidine-2,5-dione?
The InChIKey is QWYIOEBRPONOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-5(9-6(2)11)10-7(12)3-4-8(10)13/h5-6,9,11H,3-4H2,1-2H3.
What are the key properties of 1-[1-(1-hydroxyethylamino)ethyl]pyrrolidine-2,5-dione?
1-[1-(1-hydroxyethylamino)ethyl]pyrrolidine-2,5-dione has a molecular weight of 186.21 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-hydroxyethylamino)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 149151692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).