2-(1-benzylpyrrol-2-yl)isoindole-1,3-dione

C19H14N2O2 — CID 14489746

IUPAC2-(1-benzylpyrrol-2-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccn1Cc1ccccc1
InChIInChI=1S/C19H14N2O2/c22-18-15-9-4-5-10-16(15)19(23)21(18)17-11-6-12-20(17)13-14-7-2-1-3-8-14/h1-12H,13H2
InChIKeyJNPVIDCLRCVJRV-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.34
Rot. Bonds3

About 2-(1-benzylpyrrol-2-yl)isoindole-1,3-dione

2-(1-benzylpyrrol-2-yl)isoindole-1,3-dione (PubChem CID 14489746) has the molecular formula C19H14N2O2 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(1-benzylpyrrol-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-benzylpyrrol-2-yl)isoindole-1,3-dione
PubChem CID14489746
Molecular FormulaC19H14N2O2
Molecular Weight302.33 g/mol
Exact Mass302.11
IUPAC Name2-(1-benzylpyrrol-2-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccn1Cc1ccccc1
InChIInChI=1S/C19H14N2O2/c22-18-15-9-4-5-10-16(15)19(23)21(18)17-11-6-12-20(17)13-14-7-2-1-3-8-14/h1-12H,13H2
InChIKeyJNPVIDCLRCVJRV-UHFFFAOYSA-N
XLogP3.34
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.34
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-(1-benzylpyrrol-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(1-benzylpyrrol-2-yl)isoindole-1,3-dione (CID 14489746) is 2-(1-benzylpyrrol-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-benzylpyrrol-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(1-benzylpyrrol-2-yl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cccn1Cc1ccccc1.
What is the InChIKey of 2-(1-benzylpyrrol-2-yl)isoindole-1,3-dione?
The InChIKey is JNPVIDCLRCVJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2/c22-18-15-9-4-5-10-16(15)19(23)21(18)17-11-6-12-20(17)13-14-7-2-1-3-8-14/h1-12H,13H2.
What are the key properties of 2-(1-benzylpyrrol-2-yl)isoindole-1,3-dione?
2-(1-benzylpyrrol-2-yl)isoindole-1,3-dione has a molecular weight of 302.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpyrrol-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 14489746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).