4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one

C8H14N2O2 — CID 18657856

IUPAC4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one
SMILESO=C1CC([C@@H]2C[C@@H](O)CN2)CN1
InChIInChI=1S/C8H14N2O2/c11-6-2-7(9-4-6)5-1-8(12)10-3-5/h5-7,9,11H,1-4H2,(H,10,12)/t5?,6-,7+/m1/s1
InChIKeyGMINVDDTTRFBNJ-FWPZAIACSA-N
MW170.21 g/mol
LogP-1.15
Rot. Bonds1

About 4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one

4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one (PubChem CID 18657856) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one
PubChem CID18657856
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one
SMILESO=C1CC([C@@H]2C[C@@H](O)CN2)CN1
InChIInChI=1S/C8H14N2O2/c11-6-2-7(9-4-6)5-1-8(12)10-3-5/h5-7,9,11H,1-4H2,(H,10,12)/t5?,6-,7+/m1/s1
InChIKeyGMINVDDTTRFBNJ-FWPZAIACSA-N
XLogP-1.15
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one (CID 18657856) is 4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one is O=C1CC([C@@H]2C[C@@H](O)CN2)CN1.
What is the InChIKey of 4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one?
The InChIKey is GMINVDDTTRFBNJ-FWPZAIACSA-N. The full InChI is InChI=1S/C8H14N2O2/c11-6-2-7(9-4-6)5-1-8(12)10-3-5/h5-7,9,11H,1-4H2,(H,10,12)/t5?,6-,7+/m1/s1.
What are the key properties of 4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one?
4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one has a molecular weight of 170.21 g/mol, XLogP of -1.15, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S,4R)-4-hydroxypyrrolidin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 18657856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).