2-(3-amino-2-hydroxypropyl)isoindole-1,3-dione;hydrochloride

C11H13ClN2O3 — CID 22219128

IUPAC2-(3-amino-2-hydroxypropyl)isoindole-1,3-dione;hydrochloride
SMILESCl.NCC(O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H12N2O3.ClH/c12-5-7(14)6-13-10(15)8-3-1-2-4-9(8)11(13)16;/h1-4,7,14H,5-6,12H2;1H
InChIKeyCSFSKNBKKOHUDP-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.02
Rot. Bonds3

About 2-(3-amino-2-hydroxypropyl)isoindole-1,3-dione;hydrochloride

2-(3-amino-2-hydroxypropyl)isoindole-1,3-dione;hydrochloride (PubChem CID 22219128) has the molecular formula C11H13ClN2O3 and a molecular weight of 256.69 g/mol. Its IUPAC name is 2-(3-amino-2-hydroxypropyl)isoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name2-(3-amino-2-hydroxypropyl)isoindole-1,3-dione;hydrochloride
PubChem CID22219128
Molecular FormulaC11H13ClN2O3
Molecular Weight256.69 g/mol
Exact Mass256.06
IUPAC Name2-(3-amino-2-hydroxypropyl)isoindole-1,3-dione;hydrochloride
SMILESCl.NCC(O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H12N2O3.ClH/c12-5-7(14)6-13-10(15)8-3-1-2-4-9(8)11(13)16;/h1-4,7,14H,5-6,12H2;1H
InChIKeyCSFSKNBKKOHUDP-UHFFFAOYSA-N
XLogP0.02
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-hydroxypropyl)isoindole-1,3-dione;hydrochloride?
The IUPAC name of 2-(3-amino-2-hydroxypropyl)isoindole-1,3-dione;hydrochloride (CID 22219128) is 2-(3-amino-2-hydroxypropyl)isoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 2-(3-amino-2-hydroxypropyl)isoindole-1,3-dione;hydrochloride?
The canonical SMILES for 2-(3-amino-2-hydroxypropyl)isoindole-1,3-dione;hydrochloride is Cl.NCC(O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(3-amino-2-hydroxypropyl)isoindole-1,3-dione;hydrochloride?
The InChIKey is CSFSKNBKKOHUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3.ClH/c12-5-7(14)6-13-10(15)8-3-1-2-4-9(8)11(13)16;/h1-4,7,14H,5-6,12H2;1H.
What are the key properties of 2-(3-amino-2-hydroxypropyl)isoindole-1,3-dione;hydrochloride?
2-(3-amino-2-hydroxypropyl)isoindole-1,3-dione;hydrochloride has a molecular weight of 256.69 g/mol, XLogP of 0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-hydroxypropyl)isoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 22219128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).