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

C13H14N2O3 — CID 6932395

IUPAC2-[[(2S)-morpholin-2-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C[C@@H]1CNCCO1
InChIInChI=1S/C13H14N2O3/c16-12-10-3-1-2-4-11(10)13(17)15(12)8-9-7-14-5-6-18-9/h1-4,9,14H,5-8H2/t9-/m0/s1
InChIKeyUXEHWYCZZGPXOH-VIFPVBQESA-N
MW246.27 g/mol
LogP0.27
Rot. Bonds2

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

2-[[(2S)-morpholin-2-yl]methyl]isoindole-1,3-dione (PubChem CID 6932395) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[[(2S)-morpholin-2-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[(2S)-morpholin-2-yl]methyl]isoindole-1,3-dione
PubChem CID6932395
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-[[(2S)-morpholin-2-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C[C@@H]1CNCCO1
InChIInChI=1S/C13H14N2O3/c16-12-10-3-1-2-4-11(10)13(17)15(12)8-9-7-14-5-6-18-9/h1-4,9,14H,5-8H2/t9-/m0/s1
InChIKeyUXEHWYCZZGPXOH-VIFPVBQESA-N
XLogP0.27
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.27
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-(morpholin-2-ylmethyl)pyrrolo[3,4-c]pyridine-1,3-dione
CID 115324338
2-(12-bromododecyl)isoindole-1,3-dione;2-(12-morpholin-2-yldodecyl)isoindole-1,3-dione
CID 67622931
4-(morpholin-2-ylmethyl)thiomorpholine-3,5-dione
CID 104571039
3-(morpholin-2-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 64532844
N-[4-(1,3-dioxoisoindol-2-yl)butyl]morpholine-2-carboxamide
CID 119783948
2-[[(2R,3R,14S,15R)-3,14,15-tris[(1,3-dioxoisoindol-2-yl)methyl]-1,4,7,10,13,16,19,22-octaoxacyclotetracos-2-yl]methyl]isoindole-1,3-dione
CID 99693408
1-(morpholin-2-ylmethyl)cinnolin-4-one
CID 64535063
4-(morpholin-2-ylmethyl)-1,4-benzoxazin-3-one;oxalate
CID 21152021
2-(morpholin-2-ylmethyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 113287224
2-[(4-methyl-2,3-dihydroquinoxalin-1-yl)methyl]morpholine
CID 63778262
1-methyl-3-(morpholin-2-ylmethyl)imidazol-2-one
CID 80580840
1-methyl-4-(morpholin-2-ylmethyl)piperazine-2,3-dione
CID 64533654

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-morpholin-2-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[(2S)-morpholin-2-yl]methyl]isoindole-1,3-dione (CID 6932395) is 2-[[(2S)-morpholin-2-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[(2S)-morpholin-2-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[(2S)-morpholin-2-yl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C[C@@H]1CNCCO1.
What is the InChIKey of 2-[[(2S)-morpholin-2-yl]methyl]isoindole-1,3-dione?
The InChIKey is UXEHWYCZZGPXOH-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14N2O3/c16-12-10-3-1-2-4-11(10)13(17)15(12)8-9-7-14-5-6-18-9/h1-4,9,14H,5-8H2/t9-/m0/s1.
What are the key properties of 2-[[(2S)-morpholin-2-yl]methyl]isoindole-1,3-dione?
2-[[(2S)-morpholin-2-yl]methyl]isoindole-1,3-dione has a molecular weight of 246.27 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-morpholin-2-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 6932395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).