1-(2-hydroxyethyl)-3-[4-(1-hydroxyethyl)anilino]pyrrole-2,5-dione

C14H16N2O4 — CID 168556530

IUPAC1-(2-hydroxyethyl)-3-[4-(1-hydroxyethyl)anilino]pyrrole-2,5-dione
SMILESCC(O)c1ccc(NC2=CC(=O)N(CCO)C2=O)cc1
InChIInChI=1S/C14H16N2O4/c1-9(18)10-2-4-11(5-3-10)15-12-8-13(19)16(6-7-17)14(12)20/h2-5,8-9,15,17-18H,6-7H2,1H3
InChIKeySWNFRKRAXMNTDT-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.40
Rot. Bonds5

About 1-(2-hydroxyethyl)-3-[4-(1-hydroxyethyl)anilino]pyrrole-2,5-dione

1-(2-hydroxyethyl)-3-[4-(1-hydroxyethyl)anilino]pyrrole-2,5-dione (PubChem CID 168556530) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[4-(1-hydroxyethyl)anilino]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[4-(1-hydroxyethyl)anilino]pyrrole-2,5-dione
PubChem CID168556530
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-(2-hydroxyethyl)-3-[4-(1-hydroxyethyl)anilino]pyrrole-2,5-dione
SMILESCC(O)c1ccc(NC2=CC(=O)N(CCO)C2=O)cc1
InChIInChI=1S/C14H16N2O4/c1-9(18)10-2-4-11(5-3-10)15-12-8-13(19)16(6-7-17)14(12)20/h2-5,8-9,15,17-18H,6-7H2,1H3
InChIKeySWNFRKRAXMNTDT-UHFFFAOYSA-N
XLogP0.40
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-hydroxyethyl)-3-[4-(1-hydroxyethyl)anilino]pyrrole-2,5-dione?
The IUPAC name of 1-(2-hydroxyethyl)-3-[4-(1-hydroxyethyl)anilino]pyrrole-2,5-dione (CID 168556530) is 1-(2-hydroxyethyl)-3-[4-(1-hydroxyethyl)anilino]pyrrole-2,5-dione.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[4-(1-hydroxyethyl)anilino]pyrrole-2,5-dione?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[4-(1-hydroxyethyl)anilino]pyrrole-2,5-dione is CC(O)c1ccc(NC2=CC(=O)N(CCO)C2=O)cc1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[4-(1-hydroxyethyl)anilino]pyrrole-2,5-dione?
The InChIKey is SWNFRKRAXMNTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-9(18)10-2-4-11(5-3-10)15-12-8-13(19)16(6-7-17)14(12)20/h2-5,8-9,15,17-18H,6-7H2,1H3.
What are the key properties of 1-(2-hydroxyethyl)-3-[4-(1-hydroxyethyl)anilino]pyrrole-2,5-dione?
1-(2-hydroxyethyl)-3-[4-(1-hydroxyethyl)anilino]pyrrole-2,5-dione has a molecular weight of 276.29 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[4-(1-hydroxyethyl)anilino]pyrrole-2,5-dione is sourced from PubChem (CID 168556530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).