5-hydroxy-2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyran-4-one

C10H13NO4 — CID 78995679

IUPAC5-hydroxy-2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyran-4-one
SMILESO=c1cc(CN2CC[C@@H](O)C2)occ1O
InChIInChI=1S/C10H13NO4/c12-7-1-2-11(4-7)5-8-3-9(13)10(14)6-15-8/h3,6-7,12,14H,1-2,4-5H2/t7-/m1/s1
InChIKeyZOVMDXRTWYNGEI-SSDOTTSWSA-N
MW211.22 g/mol
LogP-0.09
Rot. Bonds2

About 5-hydroxy-2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyran-4-one

5-hydroxy-2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyran-4-one (PubChem CID 78995679) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-hydroxy-2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyran-4-one
PubChem CID78995679
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name5-hydroxy-2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyran-4-one
SMILESO=c1cc(CN2CC[C@@H](O)C2)occ1O
InChIInChI=1S/C10H13NO4/c12-7-1-2-11(4-7)5-8-3-9(13)10(14)6-15-8/h3,6-7,12,14H,1-2,4-5H2/t7-/m1/s1
InChIKeyZOVMDXRTWYNGEI-SSDOTTSWSA-N
XLogP-0.09
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyran-4-one (CID 78995679) is 5-hydroxy-2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyran-4-one is O=c1cc(CN2CC[C@@H](O)C2)occ1O.
What is the InChIKey of 5-hydroxy-2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyran-4-one?
The InChIKey is ZOVMDXRTWYNGEI-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13NO4/c12-7-1-2-11(4-7)5-8-3-9(13)10(14)6-15-8/h3,6-7,12,14H,1-2,4-5H2/t7-/m1/s1.
What are the key properties of 5-hydroxy-2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyran-4-one?
5-hydroxy-2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyran-4-one has a molecular weight of 211.22 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyran-4-one is sourced from PubChem (CID 78995679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).