2-aminooxyethanol;2-(2-hydroxyethoxy)isoindole-1,3-dione;hydrochloride

C12H17ClN2O6 — CID 158649274

IUPAC2-aminooxyethanol;2-(2-hydroxyethoxy)isoindole-1,3-dione;hydrochloride
SMILESCl.NOCCO.O=C1c2ccccc2C(=O)N1OCCO
InChIInChI=1S/C10H9NO4.C2H7NO2.ClH/c12-5-6-15-11-9(13)7-3-1-2-4-8(7)10(11)14;3-5-2-1-4;/h1-4,12H,5-6H2;4H,1-3H2;1H
InChIKeySAYMAEOSGKADAJ-UHFFFAOYSA-N
MW320.73 g/mol
LogP-0.50
Rot. Bonds5

About 2-aminooxyethanol;2-(2-hydroxyethoxy)isoindole-1,3-dione;hydrochloride

2-aminooxyethanol;2-(2-hydroxyethoxy)isoindole-1,3-dione;hydrochloride (PubChem CID 158649274) has the molecular formula C12H17ClN2O6 and a molecular weight of 320.73 g/mol. Its IUPAC name is 2-aminooxyethanol;2-(2-hydroxyethoxy)isoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-aminooxyethanol;2-(2-hydroxyethoxy)isoindole-1,3-dione;hydrochloride
PubChem CID158649274
Molecular FormulaC12H17ClN2O6
Molecular Weight320.73 g/mol
Exact Mass320.08
IUPAC Name2-aminooxyethanol;2-(2-hydroxyethoxy)isoindole-1,3-dione;hydrochloride
SMILESCl.NOCCO.O=C1c2ccccc2C(=O)N1OCCO
InChIInChI=1S/C10H9NO4.C2H7NO2.ClH/c12-5-6-15-11-9(13)7-3-1-2-4-8(7)10(11)14;3-5-2-1-4;/h1-4,12H,5-6H2;4H,1-3H2;1H
InChIKeySAYMAEOSGKADAJ-UHFFFAOYSA-N
XLogP-0.50
TPSA122.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.73
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxyphenyl)ethoxy]isoindole-1,3-dione
CID 175182772
2-(1,3-dioxoisoindol-2-yl)oxyethyl acetate;molecular hydrogen
CID 158595892
2-[2-(chloromethoxy)ethoxy]isoindole-1,3-dione
CID 86101763
2-aminooxyisoindole-1,3-dione
CID 89054763
[amino-[2-(1,3-dioxoisoindol-2-yl)oxyethylsulfanyl]methylidene]azanium bromide
CID 21205590
2-(4-oxopentoxy)isoindole-1,3-dione
CID 46910149
4-aminooxybutanoic acid;4-(1,3-dioxoisoindol-2-yl)oxybutanoic acid;ethyl 4-bromobutanoate;ethyl 4-(1,3-dioxoisoindol-2-yl)oxybutanoate;hydrochloride
CID 157393374
2-[2-(2-bromoethoxy)ethoxy]isoindole-1,3-dione
CID 67469414
2-[2-[2-(1,3-dioxoisoindol-2-yl)oxyacetyl]oxyethoxy]ethyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate
CID 21239173
3-(1,3-dioxoisoindol-2-yl)oxypropyl-trimethylazanium
CID 155683089
2-[2-(diethylamino)ethoxy]isoindole-1,3-dione
CID 15918162
2-(5-oxo-5-phenylpentoxy)isoindole-1,3-dione
CID 76853033

Frequently Asked Questions

What is the IUPAC name of 2-aminooxyethanol;2-(2-hydroxyethoxy)isoindole-1,3-dione;hydrochloride?
The IUPAC name of 2-aminooxyethanol;2-(2-hydroxyethoxy)isoindole-1,3-dione;hydrochloride (CID 158649274) is 2-aminooxyethanol;2-(2-hydroxyethoxy)isoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-aminooxyethanol;2-(2-hydroxyethoxy)isoindole-1,3-dione;hydrochloride?
The canonical SMILES for 2-aminooxyethanol;2-(2-hydroxyethoxy)isoindole-1,3-dione;hydrochloride is Cl.NOCCO.O=C1c2ccccc2C(=O)N1OCCO.
What is the InChIKey of 2-aminooxyethanol;2-(2-hydroxyethoxy)isoindole-1,3-dione;hydrochloride?
The InChIKey is SAYMAEOSGKADAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4.C2H7NO2.ClH/c12-5-6-15-11-9(13)7-3-1-2-4-8(7)10(11)14;3-5-2-1-4;/h1-4,12H,5-6H2;4H,1-3H2;1H.
What are the key properties of 2-aminooxyethanol;2-(2-hydroxyethoxy)isoindole-1,3-dione;hydrochloride?
2-aminooxyethanol;2-(2-hydroxyethoxy)isoindole-1,3-dione;hydrochloride has a molecular weight of 320.73 g/mol, XLogP of -0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxyethanol;2-(2-hydroxyethoxy)isoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 158649274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).