3-benzyl-1-hydroxy-4-iminopyrrolidine-2,5-dione

C11H10N2O3 — CID 151573123

IUPAC3-benzyl-1-hydroxy-4-iminopyrrolidine-2,5-dione
SMILES[H]/N=C1\C(=O)N(O)C(=O)C1Cc1ccccc1
InChIInChI=1S/C11H10N2O3/c12-9-8(10(14)13(16)11(9)15)6-7-4-2-1-3-5-7/h1-5,8,12,16H,6H2/b12-9-
InChIKeyQEWLDFHZHAQRJL-XFXZXTDPSA-N
MW218.21 g/mol
LogP0.62
Rot. Bonds2

About 3-benzyl-1-hydroxy-4-iminopyrrolidine-2,5-dione

3-benzyl-1-hydroxy-4-iminopyrrolidine-2,5-dione (PubChem CID 151573123) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-benzyl-1-hydroxy-4-iminopyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-1-hydroxy-4-iminopyrrolidine-2,5-dione
PubChem CID151573123
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name3-benzyl-1-hydroxy-4-iminopyrrolidine-2,5-dione
SMILES[H]/N=C1\C(=O)N(O)C(=O)C1Cc1ccccc1
InChIInChI=1S/C11H10N2O3/c12-9-8(10(14)13(16)11(9)15)6-7-4-2-1-3-5-7/h1-5,8,12,16H,6H2/b12-9-
InChIKeyQEWLDFHZHAQRJL-XFXZXTDPSA-N
XLogP0.62
TPSA81.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(5E)-3-benzyl-1-hydroxy-5-[hydroxy(phenyl)methylidene]piperazine-2,6-dione
CID 54729707
3-benzyl-1-methyl-3H-indol-2-one
CID 11207126
(4S)-2-hydroxy-4-(3-phenylpropyl)-4H-isoquinoline-1,3-dione
CID 86341459
(3S)-3-benzyl-1-phenyl-3H-indol-2-one
CID 26367892
2-benzyl-4-hydroxy-5,6-diphenyl-1,2-dihydropyrazin-3-one
CID 70148576
6-benzyl-1,4-dimethylpiperazine-2,3,5-trione
CID 13416223
(5-benzyl-2,4,6-trioxo-1,3-diazinan-1-yl)methanesulfonic acid
CID 90362083
6-benzyl-7-imino-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridin-5-one
CID 163660533
2-benzyl-1,3-ditert-butylimidazolidine-4,5-dione
CID 139184480
(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
CID 729946
1-benzylpyrrole-2,5-diimine
CID 151437818
3-benzyl-1-[(4-tert-butylphenyl)methyl]-3H-indol-2-one
CID 102435409

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-hydroxy-4-iminopyrrolidine-2,5-dione?
The IUPAC name of 3-benzyl-1-hydroxy-4-iminopyrrolidine-2,5-dione (CID 151573123) is 3-benzyl-1-hydroxy-4-iminopyrrolidine-2,5-dione.
What is the SMILES notation for 3-benzyl-1-hydroxy-4-iminopyrrolidine-2,5-dione?
The canonical SMILES for 3-benzyl-1-hydroxy-4-iminopyrrolidine-2,5-dione is [H]/N=C1\C(=O)N(O)C(=O)C1Cc1ccccc1.
What is the InChIKey of 3-benzyl-1-hydroxy-4-iminopyrrolidine-2,5-dione?
The InChIKey is QEWLDFHZHAQRJL-XFXZXTDPSA-N. The full InChI is InChI=1S/C11H10N2O3/c12-9-8(10(14)13(16)11(9)15)6-7-4-2-1-3-5-7/h1-5,8,12,16H,6H2/b12-9-.
What are the key properties of 3-benzyl-1-hydroxy-4-iminopyrrolidine-2,5-dione?
3-benzyl-1-hydroxy-4-iminopyrrolidine-2,5-dione has a molecular weight of 218.21 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-hydroxy-4-iminopyrrolidine-2,5-dione is sourced from PubChem (CID 151573123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).