3-[4-(2-hydroxyethoxy)anilino]-1-methylpyrrole-2,5-dione

C13H14N2O4 — CID 16647751

IUPAC3-[4-(2-hydroxyethoxy)anilino]-1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C=C(Nc2ccc(OCCO)cc2)C1=O
InChIInChI=1S/C13H14N2O4/c1-15-12(17)8-11(13(15)18)14-9-2-4-10(5-3-9)19-7-6-16/h2-5,8,14,16H,6-7H2,1H3
InChIKeyFIDYCAUCLIAFDS-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.35
Rot. Bonds5

About 3-[4-(2-hydroxyethoxy)anilino]-1-methylpyrrole-2,5-dione

3-[4-(2-hydroxyethoxy)anilino]-1-methylpyrrole-2,5-dione (PubChem CID 16647751) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethoxy)anilino]-1-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-[4-(2-hydroxyethoxy)anilino]-1-methylpyrrole-2,5-dione
PubChem CID16647751
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name3-[4-(2-hydroxyethoxy)anilino]-1-methylpyrrole-2,5-dione
SMILESCN1C(=O)C=C(Nc2ccc(OCCO)cc2)C1=O
InChIInChI=1S/C13H14N2O4/c1-15-12(17)8-11(13(15)18)14-9-2-4-10(5-3-9)19-7-6-16/h2-5,8,14,16H,6-7H2,1H3
InChIKeyFIDYCAUCLIAFDS-UHFFFAOYSA-N
XLogP0.35
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyethyl)-3-[4-(3-phenylpropoxy)anilino]pyrrole-2,5-dione
CID 168560103
ethyl 4-[(1-methyl-2,5-dioxopyrrol-3-yl)amino]benzoate
CID 16647728
1-(2-hydroxyethyl)-3-(4-propan-2-yloxyanilino)pyrrole-2,5-dione
CID 168560112
1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione
CID 168559346
3-[4-[(1,5-dimethylpyrazol-4-yl)methoxy]anilino]-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559042
4-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenoxy]benzoic acid
CID 168557232
1-(2-hydroxyethyl)-3-[4-(3-methoxyphenoxy)anilino]pyrrole-2,5-dione
CID 168556374
3-(4-chloroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 16647775
1-(2-hydroxyethyl)-3-[4-(2-methoxyphenyl)anilino]pyrrole-2,5-dione
CID 168560657
4-[4-(2-hydroxyethoxy)phenyl]-1,2,4-triazolidine-3,5-dione
CID 90261032
3-(2-ethoxyanilino)-1-methylpyrrole-2,5-dione
CID 16647743
CID 162335780
CID 162335780

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethoxy)anilino]-1-methylpyrrole-2,5-dione?
The IUPAC name of 3-[4-(2-hydroxyethoxy)anilino]-1-methylpyrrole-2,5-dione (CID 16647751) is 3-[4-(2-hydroxyethoxy)anilino]-1-methylpyrrole-2,5-dione.
What is the SMILES notation for 3-[4-(2-hydroxyethoxy)anilino]-1-methylpyrrole-2,5-dione?
The canonical SMILES for 3-[4-(2-hydroxyethoxy)anilino]-1-methylpyrrole-2,5-dione is CN1C(=O)C=C(Nc2ccc(OCCO)cc2)C1=O.
What is the InChIKey of 3-[4-(2-hydroxyethoxy)anilino]-1-methylpyrrole-2,5-dione?
The InChIKey is FIDYCAUCLIAFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-15-12(17)8-11(13(15)18)14-9-2-4-10(5-3-9)19-7-6-16/h2-5,8,14,16H,6-7H2,1H3.
What are the key properties of 3-[4-(2-hydroxyethoxy)anilino]-1-methylpyrrole-2,5-dione?
3-[4-(2-hydroxyethoxy)anilino]-1-methylpyrrole-2,5-dione has a molecular weight of 262.27 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethoxy)anilino]-1-methylpyrrole-2,5-dione is sourced from PubChem (CID 16647751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).