2-(2-hydroxyethyl)-3a,7a-dihydroisoindole-1,3-dione

C10H11NO3 — CID 89451389

IUPAC2-(2-hydroxyethyl)-3a,7a-dihydroisoindole-1,3-dione
SMILESO=C1C2C=CC=CC2C(=O)N1CCO
InChIInChI=1S/C10H11NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,7-8,12H,5-6H2
InChIKeyFCQWJBZZIRDLMH-UHFFFAOYSA-N
MW193.20 g/mol
LogP-0.29
Rot. Bonds2

About 2-(2-hydroxyethyl)-3a,7a-dihydroisoindole-1,3-dione

2-(2-hydroxyethyl)-3a,7a-dihydroisoindole-1,3-dione (PubChem CID 89451389) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-(2-hydroxyethyl)-3a,7a-dihydroisoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxyethyl)-3a,7a-dihydroisoindole-1,3-dione
PubChem CID89451389
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-(2-hydroxyethyl)-3a,7a-dihydroisoindole-1,3-dione
SMILESO=C1C2C=CC=CC2C(=O)N1CCO
InChIInChI=1S/C10H11NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,7-8,12H,5-6H2
InChIKeyFCQWJBZZIRDLMH-UHFFFAOYSA-N
XLogP-0.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-hydroxyethyl)-3a,7a-dihydroisoindole-1,3-dione?
The IUPAC name of 2-(2-hydroxyethyl)-3a,7a-dihydroisoindole-1,3-dione (CID 89451389) is 2-(2-hydroxyethyl)-3a,7a-dihydroisoindole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxyethyl)-3a,7a-dihydroisoindole-1,3-dione?
The canonical SMILES for 2-(2-hydroxyethyl)-3a,7a-dihydroisoindole-1,3-dione is O=C1C2C=CC=CC2C(=O)N1CCO.
What is the InChIKey of 2-(2-hydroxyethyl)-3a,7a-dihydroisoindole-1,3-dione?
The InChIKey is FCQWJBZZIRDLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,7-8,12H,5-6H2.
What are the key properties of 2-(2-hydroxyethyl)-3a,7a-dihydroisoindole-1,3-dione?
2-(2-hydroxyethyl)-3a,7a-dihydroisoindole-1,3-dione has a molecular weight of 193.20 g/mol, XLogP of -0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethyl)-3a,7a-dihydroisoindole-1,3-dione is sourced from PubChem (CID 89451389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).