2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione

C14H16N2O3 — CID 66261613

IUPAC2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CN1CCC[C@H]1CO
InChIInChI=1S/C14H16N2O3/c17-8-10-4-3-7-15(10)9-16-13(18)11-5-1-2-6-12(11)14(16)19/h1-2,5-6,10,17H,3-4,7-9H2/t10-/m0/s1
InChIKeyXBAIUIJVVHXRGE-JTQLQIEISA-N
MW260.29 g/mol
LogP0.70
Rot. Bonds3

About 2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione

2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione (PubChem CID 66261613) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione
PubChem CID66261613
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CN1CCC[C@H]1CO
InChIInChI=1S/C14H16N2O3/c17-8-10-4-3-7-15(10)9-16-13(18)11-5-1-2-6-12(11)14(16)19/h1-2,5-6,10,17H,3-4,7-9H2/t10-/m0/s1
InChIKeyXBAIUIJVVHXRGE-JTQLQIEISA-N
XLogP0.70
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.70
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-[3-[2-(hydroxymethyl)pyrrolidin-1-yl]propyl]isoindole-1,3-dione
CID 72694161
2-[4-[2-(aminomethyl)pyrrolidin-1-yl]butyl]isoindole-1,3-dione
CID 164916956
2-[2-[(2R)-2-benzylpyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 95568169
2-[[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]methyl]isoindole-1,3-dione
CID 51644910
2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]isoindole-1,3-dione
CID 63255268
methyl 2-[(2R)-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyrrolidin-2-yl]acetate
CID 124613957
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-[(3-aminopiperidin-1-yl)methyl]isoindole-1,3-dione
CID 55032217
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
2-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]isoindole-1,3-dione
CID 99872290
2-[(2,6-dimethylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 19133035
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylethanesulfonamide
CID 141118156

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione (CID 66261613) is 2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CN1CCC[C@H]1CO.
What is the InChIKey of 2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione?
The InChIKey is XBAIUIJVVHXRGE-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N2O3/c17-8-10-4-3-7-15(10)9-16-13(18)11-5-1-2-6-12(11)14(16)19/h1-2,5-6,10,17H,3-4,7-9H2/t10-/m0/s1.
What are the key properties of 2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione?
2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione has a molecular weight of 260.29 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 66261613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).