2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]isoindole-1,3-dione

C19H20N2O3 — CID 2998229

IUPAC2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCCCn1c(C)cc(C(=O)CN2C(=O)c3ccccc3C2=O)c1C
InChIInChI=1S/C19H20N2O3/c1-4-9-20-12(2)10-16(13(20)3)17(22)11-21-18(23)14-7-5-6-8-15(14)19(21)24/h5-8,10H,4,9,11H2,1-3H3
InChIKeyQUAZFBHJEJOYOP-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.99
Rot. Bonds5

About 2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]isoindole-1,3-dione

2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 2998229) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]isoindole-1,3-dione
PubChem CID2998229
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCCCn1c(C)cc(C(=O)CN2C(=O)c3ccccc3C2=O)c1C
InChIInChI=1S/C19H20N2O3/c1-4-9-20-12(2)10-16(13(20)3)17(22)11-21-18(23)14-7-5-6-8-15(14)19(21)24/h5-8,10H,4,9,11H2,1-3H3
InChIKeyQUAZFBHJEJOYOP-UHFFFAOYSA-N
XLogP2.99
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.99
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 2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]isoindole-1,3-dione (CID 2998229) is 2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]isoindole-1,3-dione is CCCn1c(C)cc(C(=O)CN2C(=O)c3ccccc3C2=O)c1C.
What is the InChIKey of 2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is QUAZFBHJEJOYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-4-9-20-12(2)10-16(13(20)3)17(22)11-21-18(23)14-7-5-6-8-15(14)19(21)24/h5-8,10H,4,9,11H2,1-3H3.
What are the key properties of 2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]isoindole-1,3-dione?
2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 324.38 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 2998229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).