2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]isoindole-1,3-dione

C19H18N2O3 — CID 23582860

IUPAC2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(OC[C@H]2CCCN2)cc1
InChIInChI=1S/C19H18N2O3/c22-18-16-5-1-2-6-17(16)19(23)21(18)14-7-9-15(10-8-14)24-12-13-4-3-11-20-13/h1-2,5-10,13,20H,3-4,11-12H2/t13-/m1/s1
InChIKeyOOWZYCWYUQHSMD-CYBMUJFWSA-N
MW322.36 g/mol
LogP2.62
Rot. Bonds4

About 2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]isoindole-1,3-dione

2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]isoindole-1,3-dione (PubChem CID 23582860) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]isoindole-1,3-dione
PubChem CID23582860
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(OC[C@H]2CCCN2)cc1
InChIInChI=1S/C19H18N2O3/c22-18-16-5-1-2-6-17(16)19(23)21(18)14-7-9-15(10-8-14)24-12-13-4-3-11-20-13/h1-2,5-10,13,20H,3-4,11-12H2/t13-/m1/s1
InChIKeyOOWZYCWYUQHSMD-CYBMUJFWSA-N
XLogP2.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
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-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]isoindole-1,3-dione (CID 23582860) is 2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc(OC[C@H]2CCCN2)cc1.
What is the InChIKey of 2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]isoindole-1,3-dione?
The InChIKey is OOWZYCWYUQHSMD-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-18-16-5-1-2-6-17(16)19(23)21(18)14-7-9-15(10-8-14)24-12-13-4-3-11-20-13/h1-2,5-10,13,20H,3-4,11-12H2/t13-/m1/s1.
What are the key properties of 2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]isoindole-1,3-dione?
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]isoindole-1,3-dione has a molecular weight of 322.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 23582860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).