5-chloro-2-(2-morpholin-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione;hydrochloride

C14H20Cl2N2O3 — CID 2893304

IUPAC5-chloro-2-(2-morpholin-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione;hydrochloride
SMILESCl.O=C1C2CC=C(Cl)CC2C(=O)N1CCN1CCOCC1
InChIInChI=1S/C14H19ClN2O3.ClH/c15-10-1-2-11-12(9-10)14(19)17(13(11)18)4-3-16-5-7-20-8-6-16;/h1,11-12H,2-9H2;1H
InChIKeyLAXLFLDRXSIZOH-UHFFFAOYSA-N
MW335.23 g/mol
LogP1.26
Rot. Bonds3

About 5-chloro-2-(2-morpholin-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione;hydrochloride

5-chloro-2-(2-morpholin-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione;hydrochloride (PubChem CID 2893304) has the molecular formula C14H20Cl2N2O3 and a molecular weight of 335.23 g/mol. Its IUPAC name is 5-chloro-2-(2-morpholin-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione;hydrochloride.

Molecular Properties

Compound Name5-chloro-2-(2-morpholin-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione;hydrochloride
PubChem CID2893304
Molecular FormulaC14H20Cl2N2O3
Molecular Weight335.23 g/mol
Exact Mass334.09
IUPAC Name5-chloro-2-(2-morpholin-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione;hydrochloride
SMILESCl.O=C1C2CC=C(Cl)CC2C(=O)N1CCN1CCOCC1
InChIInChI=1S/C14H19ClN2O3.ClH/c15-10-1-2-11-12(9-10)14(19)17(13(11)18)4-3-16-5-7-20-8-6-16;/h1,11-12H,2-9H2;1H
InChIKeyLAXLFLDRXSIZOH-UHFFFAOYSA-N
XLogP1.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 51.26
H-Bond Donors ≤ 50
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 5-chloro-2-(2-morpholin-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione;hydrochloride?
The IUPAC name of 5-chloro-2-(2-morpholin-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione;hydrochloride (CID 2893304) is 5-chloro-2-(2-morpholin-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione;hydrochloride.
What is the SMILES notation for 5-chloro-2-(2-morpholin-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione;hydrochloride?
The canonical SMILES for 5-chloro-2-(2-morpholin-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione;hydrochloride is Cl.O=C1C2CC=C(Cl)CC2C(=O)N1CCN1CCOCC1.
What is the InChIKey of 5-chloro-2-(2-morpholin-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione;hydrochloride?
The InChIKey is LAXLFLDRXSIZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3.ClH/c15-10-1-2-11-12(9-10)14(19)17(13(11)18)4-3-16-5-7-20-8-6-16;/h1,11-12H,2-9H2;1H.
What are the key properties of 5-chloro-2-(2-morpholin-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione;hydrochloride?
5-chloro-2-(2-morpholin-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione;hydrochloride has a molecular weight of 335.23 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-morpholin-4-ylethyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione;hydrochloride is sourced from PubChem (CID 2893304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).