2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione

C15H16N2O3 — CID 110749728

IUPAC2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCC1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C15H16N2O3/c1-10-6-7-16(8-10)13(18)9-17-14(19)11-4-2-3-5-12(11)15(17)20/h2-5,10H,6-9H2,1H3
InChIKeyKIRQVLDLDKEQSX-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.15
Rot. Bonds2

About 2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione

2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 110749728) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
PubChem CID110749728
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCC1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1
InChIInChI=1S/C15H16N2O3/c1-10-6-7-16(8-10)13(18)9-17-14(19)11-4-2-3-5-12(11)15(17)20/h2-5,10H,6-9H2,1H3
InChIKeyKIRQVLDLDKEQSX-UHFFFAOYSA-N
XLogP1.15
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]isoindole-1,3-dione
CID 9017520
2-[2-oxo-2-[(3S)-3-phenylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 784159
2-[2-[4-(methylamino)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119562529
2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178372
methyl 1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidine-4-carboxylate
CID 717639
4-fluoro-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 113201614
2-[2-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 121197508
2-[2-[4-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione;hydrochloride
CID 119519454
2-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
CID 2738645
2-[2-[4-(azepan-1-yl)piperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 110667092
2-[2-[16-[2-(1,3-dioxoisoindol-2-yl)acetyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-2-oxoethyl]isoindole-1,3-dione
CID 2829028
2-[2-[4-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 9246953

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione (CID 110749728) is 2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione is CC1CCN(C(=O)CN2C(=O)c3ccccc3C2=O)C1.
What is the InChIKey of 2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is KIRQVLDLDKEQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-10-6-7-16(8-10)13(18)9-17-14(19)11-4-2-3-5-12(11)15(17)20/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione?
2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 272.30 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 110749728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).