5-methyl-2-(2-pyrrolidin-1-ylethyl)isoindole-1,3-dione

C15H18N2O2 — CID 23733624

IUPAC5-methyl-2-(2-pyrrolidin-1-ylethyl)isoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(CCN1CCCC1)C2=O
InChIInChI=1S/C15H18N2O2/c1-11-4-5-12-13(10-11)15(19)17(14(12)18)9-8-16-6-2-3-7-16/h4-5,10H,2-3,6-9H2,1H3
InChIKeyQRVQBDJYBVLPFQ-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.69
Rot. Bonds3

About 5-methyl-2-(2-pyrrolidin-1-ylethyl)isoindole-1,3-dione

5-methyl-2-(2-pyrrolidin-1-ylethyl)isoindole-1,3-dione (PubChem CID 23733624) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-methyl-2-(2-pyrrolidin-1-ylethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name5-methyl-2-(2-pyrrolidin-1-ylethyl)isoindole-1,3-dione
PubChem CID23733624
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name5-methyl-2-(2-pyrrolidin-1-ylethyl)isoindole-1,3-dione
SMILESCc1ccc2c(c1)C(=O)N(CCN1CCCC1)C2=O
InChIInChI=1S/C15H18N2O2/c1-11-4-5-12-13(10-11)15(19)17(14(12)18)9-8-16-6-2-3-7-16/h4-5,10H,2-3,6-9H2,1H3
InChIKeyQRVQBDJYBVLPFQ-UHFFFAOYSA-N
XLogP1.69
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.69
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 5-methyl-2-(2-pyrrolidin-1-ylethyl)isoindole-1,3-dione?
The IUPAC name of 5-methyl-2-(2-pyrrolidin-1-ylethyl)isoindole-1,3-dione (CID 23733624) is 5-methyl-2-(2-pyrrolidin-1-ylethyl)isoindole-1,3-dione.
What is the SMILES notation for 5-methyl-2-(2-pyrrolidin-1-ylethyl)isoindole-1,3-dione?
The canonical SMILES for 5-methyl-2-(2-pyrrolidin-1-ylethyl)isoindole-1,3-dione is Cc1ccc2c(c1)C(=O)N(CCN1CCCC1)C2=O.
What is the InChIKey of 5-methyl-2-(2-pyrrolidin-1-ylethyl)isoindole-1,3-dione?
The InChIKey is QRVQBDJYBVLPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-4-5-12-13(10-11)15(19)17(14(12)18)9-8-16-6-2-3-7-16/h4-5,10H,2-3,6-9H2,1H3.
What are the key properties of 5-methyl-2-(2-pyrrolidin-1-ylethyl)isoindole-1,3-dione?
5-methyl-2-(2-pyrrolidin-1-ylethyl)isoindole-1,3-dione has a molecular weight of 258.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-pyrrolidin-1-ylethyl)isoindole-1,3-dione is sourced from PubChem (CID 23733624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).