2-[(1-ethylpyrrolidin-2-yl)methyl]isoindole-1,3-dione

C15H18N2O2 — CID 14975974

IUPAC2-[(1-ethylpyrrolidin-2-yl)methyl]isoindole-1,3-dione
SMILESCCN1CCCC1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H18N2O2/c1-2-16-9-5-6-11(16)10-17-14(18)12-7-3-4-8-13(12)15(17)19/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyIHNADAQZYRTMSK-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.77
Rot. Bonds3

About 2-[(1-ethylpyrrolidin-2-yl)methyl]isoindole-1,3-dione

2-[(1-ethylpyrrolidin-2-yl)methyl]isoindole-1,3-dione (PubChem CID 14975974) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methyl]isoindole-1,3-dione
PubChem CID14975974
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methyl]isoindole-1,3-dione
SMILESCCN1CCCC1CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H18N2O2/c1-2-16-9-5-6-11(16)10-17-14(18)12-7-3-4-8-13(12)15(17)19/h3-4,7-8,11H,2,5-6,9-10H2,1H3
InChIKeyIHNADAQZYRTMSK-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
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-ethylpyrrolidin-2-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]isoindole-1,3-dione (CID 14975974) is 2-[(1-ethylpyrrolidin-2-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methyl]isoindole-1,3-dione is CCN1CCCC1CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methyl]isoindole-1,3-dione?
The InChIKey is IHNADAQZYRTMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-16-9-5-6-11(16)10-17-14(18)12-7-3-4-8-13(12)15(17)19/h3-4,7-8,11H,2,5-6,9-10H2,1H3.
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methyl]isoindole-1,3-dione?
2-[(1-ethylpyrrolidin-2-yl)methyl]isoindole-1,3-dione has a molecular weight of 258.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 14975974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).