2-naphthalen-2-yl-5-pyrrolidin-1-ylisoindole-1,3-dione

C22H18N2O2 — CID 168514746

IUPAC2-naphthalen-2-yl-5-pyrrolidin-1-ylisoindole-1,3-dione
SMILESO=C1c2ccc(N3CCCC3)cc2C(=O)N1c1ccc2ccccc2c1
InChIInChI=1S/C22H18N2O2/c25-21-19-10-9-17(23-11-3-4-12-23)14-20(19)22(26)24(21)18-8-7-15-5-1-2-6-16(15)13-18/h1-2,5-10,13-14H,3-4,11-12H2
InChIKeyZPEQWAUNOKHJIC-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.24
Rot. Bonds2

About 2-naphthalen-2-yl-5-pyrrolidin-1-ylisoindole-1,3-dione

2-naphthalen-2-yl-5-pyrrolidin-1-ylisoindole-1,3-dione (PubChem CID 168514746) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-naphthalen-2-yl-5-pyrrolidin-1-ylisoindole-1,3-dione.

Molecular Properties

Compound Name2-naphthalen-2-yl-5-pyrrolidin-1-ylisoindole-1,3-dione
PubChem CID168514746
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name2-naphthalen-2-yl-5-pyrrolidin-1-ylisoindole-1,3-dione
SMILESO=C1c2ccc(N3CCCC3)cc2C(=O)N1c1ccc2ccccc2c1
InChIInChI=1S/C22H18N2O2/c25-21-19-10-9-17(23-11-3-4-12-23)14-20(19)22(26)24(21)18-8-7-15-5-1-2-6-16(15)13-18/h1-2,5-10,13-14H,3-4,11-12H2
InChIKeyZPEQWAUNOKHJIC-UHFFFAOYSA-N
XLogP4.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
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-naphthalen-2-yl-5-pyrrolidin-1-ylisoindole-1,3-dione?
The IUPAC name of 2-naphthalen-2-yl-5-pyrrolidin-1-ylisoindole-1,3-dione (CID 168514746) is 2-naphthalen-2-yl-5-pyrrolidin-1-ylisoindole-1,3-dione.
What is the SMILES notation for 2-naphthalen-2-yl-5-pyrrolidin-1-ylisoindole-1,3-dione?
The canonical SMILES for 2-naphthalen-2-yl-5-pyrrolidin-1-ylisoindole-1,3-dione is O=C1c2ccc(N3CCCC3)cc2C(=O)N1c1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yl-5-pyrrolidin-1-ylisoindole-1,3-dione?
The InChIKey is ZPEQWAUNOKHJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-21-19-10-9-17(23-11-3-4-12-23)14-20(19)22(26)24(21)18-8-7-15-5-1-2-6-16(15)13-18/h1-2,5-10,13-14H,3-4,11-12H2.
What are the key properties of 2-naphthalen-2-yl-5-pyrrolidin-1-ylisoindole-1,3-dione?
2-naphthalen-2-yl-5-pyrrolidin-1-ylisoindole-1,3-dione has a molecular weight of 342.40 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-5-pyrrolidin-1-ylisoindole-1,3-dione is sourced from PubChem (CID 168514746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).