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

C16H20N2O3 — CID 131219720

IUPAC2-[2-[3-(hydroxymethyl)-2-methylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
SMILESCC1C(CO)CCN1CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H20N2O3/c1-11-12(10-19)6-7-17(11)8-9-18-15(20)13-4-2-3-5-14(13)16(18)21/h2-5,11-12,19H,6-10H2,1H3
InChIKeyYXFOLMLHZMHBBH-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.99
Rot. Bonds4

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

2-[2-[3-(hydroxymethyl)-2-methylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione (PubChem CID 131219720) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[2-[3-(hydroxymethyl)-2-methylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[3-(hydroxymethyl)-2-methylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
PubChem CID131219720
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[2-[3-(hydroxymethyl)-2-methylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
SMILESCC1C(CO)CCN1CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H20N2O3/c1-11-12(10-19)6-7-17(11)8-9-18-15(20)13-4-2-3-5-14(13)16(18)21/h2-5,11-12,19H,6-10H2,1H3
InChIKeyYXFOLMLHZMHBBH-UHFFFAOYSA-N
XLogP0.99
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]isoindole-1,3-dione
CID 11930918
2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione
CID 8557612
2-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione
CID 72694161
methyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate
CID 124613957
2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione
CID 119926222
2-[2-[2-(aminomethyl)-3-methylpiperidin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
CID 119926221
2-[4-[3-(hydroxymethyl)pyrrolidin-1-yl]butyl]isoindole-1,3-dione
CID 111442706
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid
CID 82224049
2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]isoindole-1,3-dione
CID 62918343
2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 78963607
(2S,5S)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2,5-dicarboxylic acid
CID 70342789
2-[4-[(3aR,9bS)-6-hydroxy-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-3-yl]butyl]isoindole-1,3-dione
CID 54115001

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(hydroxymethyl)-2-methylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[3-(hydroxymethyl)-2-methylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione (CID 131219720) is 2-[2-[3-(hydroxymethyl)-2-methylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[3-(hydroxymethyl)-2-methylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[3-(hydroxymethyl)-2-methylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione is CC1C(CO)CCN1CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-[3-(hydroxymethyl)-2-methylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione?
The InChIKey is YXFOLMLHZMHBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-12(10-19)6-7-17(11)8-9-18-15(20)13-4-2-3-5-14(13)16(18)21/h2-5,11-12,19H,6-10H2,1H3.
What are the key properties of 2-[2-[3-(hydroxymethyl)-2-methylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione?
2-[2-[3-(hydroxymethyl)-2-methylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione has a molecular weight of 288.35 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(hydroxymethyl)-2-methylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 131219720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).