[(3S)-5-oxopyrrolidin-3-yl] imidazole-1-carboxylate

C8H9N3O3 — CID 147714646

IUPAC[(3S)-5-oxopyrrolidin-3-yl] imidazole-1-carboxylate
SMILESO=C1C[C@H](OC(=O)n2ccnc2)CN1
InChIInChI=1S/C8H9N3O3/c12-7-3-6(4-10-7)14-8(13)11-2-1-9-5-11/h1-2,5-6H,3-4H2,(H,10,12)/t6-/m0/s1
InChIKeyGVJVAYOIKCXJGN-LURJTMIESA-N
MW195.18 g/mol
LogP-0.24
Rot. Bonds1

About [(3S)-5-oxopyrrolidin-3-yl] imidazole-1-carboxylate

[(3S)-5-oxopyrrolidin-3-yl] imidazole-1-carboxylate (PubChem CID 147714646) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is [(3S)-5-oxopyrrolidin-3-yl] imidazole-1-carboxylate.

Molecular Properties

Compound Name[(3S)-5-oxopyrrolidin-3-yl] imidazole-1-carboxylate
PubChem CID147714646
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name[(3S)-5-oxopyrrolidin-3-yl] imidazole-1-carboxylate
SMILESO=C1C[C@H](OC(=O)n2ccnc2)CN1
InChIInChI=1S/C8H9N3O3/c12-7-3-6(4-10-7)14-8(13)11-2-1-9-5-11/h1-2,5-6H,3-4H2,(H,10,12)/t6-/m0/s1
InChIKeyGVJVAYOIKCXJGN-LURJTMIESA-N
XLogP-0.24
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3S)-5-oxopyrrolidin-3-yl] imidazole-1-carboxylate?
The IUPAC name of [(3S)-5-oxopyrrolidin-3-yl] imidazole-1-carboxylate (CID 147714646) is [(3S)-5-oxopyrrolidin-3-yl] imidazole-1-carboxylate.
What is the SMILES notation for [(3S)-5-oxopyrrolidin-3-yl] imidazole-1-carboxylate?
The canonical SMILES for [(3S)-5-oxopyrrolidin-3-yl] imidazole-1-carboxylate is O=C1C[C@H](OC(=O)n2ccnc2)CN1.
What is the InChIKey of [(3S)-5-oxopyrrolidin-3-yl] imidazole-1-carboxylate?
The InChIKey is GVJVAYOIKCXJGN-LURJTMIESA-N. The full InChI is InChI=1S/C8H9N3O3/c12-7-3-6(4-10-7)14-8(13)11-2-1-9-5-11/h1-2,5-6H,3-4H2,(H,10,12)/t6-/m0/s1.
What are the key properties of [(3S)-5-oxopyrrolidin-3-yl] imidazole-1-carboxylate?
[(3S)-5-oxopyrrolidin-3-yl] imidazole-1-carboxylate has a molecular weight of 195.18 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-5-oxopyrrolidin-3-yl] imidazole-1-carboxylate is sourced from PubChem (CID 147714646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).