(2S)-3-hydroxy-2-pyridin-3-ylimidazolidin-4-one

C8H9N3O2 — CID 92534451

IUPAC(2S)-3-hydroxy-2-pyridin-3-ylimidazolidin-4-one
SMILESO=C1CN[C@H](c2cccnc2)N1O
InChIInChI=1S/C8H9N3O2/c12-7-5-10-8(11(7)13)6-2-1-3-9-4-6/h1-4,8,10,13H,5H2/t8-/m0/s1
InChIKeyWYCYRWCJCQMSIM-QMMMGPOBSA-N
MW179.18 g/mol
LogP-0.10
Rot. Bonds1

About (2S)-3-hydroxy-2-pyridin-3-ylimidazolidin-4-one

(2S)-3-hydroxy-2-pyridin-3-ylimidazolidin-4-one (PubChem CID 92534451) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-pyridin-3-ylimidazolidin-4-one.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-pyridin-3-ylimidazolidin-4-one
PubChem CID92534451
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name(2S)-3-hydroxy-2-pyridin-3-ylimidazolidin-4-one
SMILESO=C1CN[C@H](c2cccnc2)N1O
InChIInChI=1S/C8H9N3O2/c12-7-5-10-8(11(7)13)6-2-1-3-9-4-6/h1-4,8,10,13H,5H2/t8-/m0/s1
InChIKeyWYCYRWCJCQMSIM-QMMMGPOBSA-N
XLogP-0.10
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-pyridin-3-ylimidazolidin-4-one?
The IUPAC name of (2S)-3-hydroxy-2-pyridin-3-ylimidazolidin-4-one (CID 92534451) is (2S)-3-hydroxy-2-pyridin-3-ylimidazolidin-4-one.
What is the SMILES notation for (2S)-3-hydroxy-2-pyridin-3-ylimidazolidin-4-one?
The canonical SMILES for (2S)-3-hydroxy-2-pyridin-3-ylimidazolidin-4-one is O=C1CN[C@H](c2cccnc2)N1O.
What is the InChIKey of (2S)-3-hydroxy-2-pyridin-3-ylimidazolidin-4-one?
The InChIKey is WYCYRWCJCQMSIM-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H9N3O2/c12-7-5-10-8(11(7)13)6-2-1-3-9-4-6/h1-4,8,10,13H,5H2/t8-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-pyridin-3-ylimidazolidin-4-one?
(2S)-3-hydroxy-2-pyridin-3-ylimidazolidin-4-one has a molecular weight of 179.18 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-pyridin-3-ylimidazolidin-4-one is sourced from PubChem (CID 92534451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).