2-[2-(2-hydroxyethylamino)ethyl]isoindole-1,3-dione

C12H14N2O3 — CID 39733476

IUPAC2-[2-(2-hydroxyethylamino)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCNCCO
InChIInChI=1S/C12H14N2O3/c15-8-6-13-5-7-14-11(16)9-3-1-2-4-10(9)12(14)17/h1-4,13,15H,5-8H2
InChIKeyWQSJERNHUMXCBI-UHFFFAOYSA-N
MW234.25 g/mol
LogP-0.14
Rot. Bonds5

About 2-[2-(2-hydroxyethylamino)ethyl]isoindole-1,3-dione

2-[2-(2-hydroxyethylamino)ethyl]isoindole-1,3-dione (PubChem CID 39733476) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethylamino)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2-hydroxyethylamino)ethyl]isoindole-1,3-dione
PubChem CID39733476
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-[2-(2-hydroxyethylamino)ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCNCCO
InChIInChI=1S/C12H14N2O3/c15-8-6-13-5-7-14-11(16)9-3-1-2-4-10(9)12(14)17/h1-4,13,15H,5-8H2
InChIKeyWQSJERNHUMXCBI-UHFFFAOYSA-N
XLogP-0.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethylamino]ethylamino]ethyl]isoindole-1,3-dione
CID 3090844
2-[3-[10-[3-(1,3-dioxoisoindol-2-yl)propylamino]decylamino]propyl]isoindole-1,3-dione
CID 46192998
7-[2-(2-hydroxyethylamino)ethyl]-18-methyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 22085409
2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
CID 21468228
benzene-1,3,5-triol;2-(2-hydroxyethyl)isoindole-1,3-dione
CID 139145891
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[2-(2-phenylanilino)ethyl]isoindole-1,3-dione
CID 23827824
2-[2-[3-[2-(1,3-dioxophenanthro[9,10-c]pyrrol-2-yl)ethylamino]propylamino]ethyl]phenanthro[9,10-c]pyrrole-1,3-dione
CID 56668526
1-[(2-hydroxyethylamino)methyl]indole-2,3-dione
CID 22013357
2-[2-[2-(4,4-dimethyl-1,3-dioxoisoquinolin-2-yl)ethylamino]ethyl]-4,4-dimethylisoquinoline-1,3-dione
CID 21428619
2-[2-(propylamino)ethyl]benzo[de]isoquinoline-1,3-dione
CID 53348110
2-[4-(aminomethylamino)butyl]isoindole-1,3-dione
CID 70994742

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethylamino)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2-hydroxyethylamino)ethyl]isoindole-1,3-dione (CID 39733476) is 2-[2-(2-hydroxyethylamino)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2-hydroxyethylamino)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2-hydroxyethylamino)ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCNCCO.
What is the InChIKey of 2-[2-(2-hydroxyethylamino)ethyl]isoindole-1,3-dione?
The InChIKey is WQSJERNHUMXCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-8-6-13-5-7-14-11(16)9-3-1-2-4-10(9)12(14)17/h1-4,13,15H,5-8H2.
What are the key properties of 2-[2-(2-hydroxyethylamino)ethyl]isoindole-1,3-dione?
2-[2-(2-hydroxyethylamino)ethyl]isoindole-1,3-dione has a molecular weight of 234.25 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethylamino)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 39733476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).