4-hydroxy-1-[(3R)-oxolan-3-yl]pyrrolidin-2-one

C8H13NO3 — CID 168701747

IUPAC4-hydroxy-1-[(3R)-oxolan-3-yl]pyrrolidin-2-one
SMILESO=C1CC(O)CN1[C@@H]1CCOC1
InChIInChI=1S/C8H13NO3/c10-7-3-8(11)9(4-7)6-1-2-12-5-6/h6-7,10H,1-5H2/t6-,7?/m1/s1
InChIKeyGZNWXMYZIFIYIC-ULUSZKPHSA-N
MW171.20 g/mol
LogP-0.63
Rot. Bonds1

About 4-hydroxy-1-[(3R)-oxolan-3-yl]pyrrolidin-2-one

4-hydroxy-1-[(3R)-oxolan-3-yl]pyrrolidin-2-one (PubChem CID 168701747) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-hydroxy-1-[(3R)-oxolan-3-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-[(3R)-oxolan-3-yl]pyrrolidin-2-one
PubChem CID168701747
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name4-hydroxy-1-[(3R)-oxolan-3-yl]pyrrolidin-2-one
SMILESO=C1CC(O)CN1[C@@H]1CCOC1
InChIInChI=1S/C8H13NO3/c10-7-3-8(11)9(4-7)6-1-2-12-5-6/h6-7,10H,1-5H2/t6-,7?/m1/s1
InChIKeyGZNWXMYZIFIYIC-ULUSZKPHSA-N
XLogP-0.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(3R)-oxolan-3-yl]pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-[(3R)-oxolan-3-yl]pyrrolidin-2-one (CID 168701747) is 4-hydroxy-1-[(3R)-oxolan-3-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-[(3R)-oxolan-3-yl]pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-[(3R)-oxolan-3-yl]pyrrolidin-2-one is O=C1CC(O)CN1[C@@H]1CCOC1.
What is the InChIKey of 4-hydroxy-1-[(3R)-oxolan-3-yl]pyrrolidin-2-one?
The InChIKey is GZNWXMYZIFIYIC-ULUSZKPHSA-N. The full InChI is InChI=1S/C8H13NO3/c10-7-3-8(11)9(4-7)6-1-2-12-5-6/h6-7,10H,1-5H2/t6-,7?/m1/s1.
What are the key properties of 4-hydroxy-1-[(3R)-oxolan-3-yl]pyrrolidin-2-one?
4-hydroxy-1-[(3R)-oxolan-3-yl]pyrrolidin-2-one has a molecular weight of 171.20 g/mol, XLogP of -0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(3R)-oxolan-3-yl]pyrrolidin-2-one is sourced from PubChem (CID 168701747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).