(5R)-5-[(2S)-5-oxooxolan-2-yl]pyrrolidin-2-one

C8H11NO3 — CID 130967151

IUPAC(5R)-5-[(2S)-5-oxooxolan-2-yl]pyrrolidin-2-one
SMILESO=C1CC[C@H]([C@@H]2CCC(=O)O2)N1
InChIInChI=1S/C8H11NO3/c10-7-3-1-5(9-7)6-2-4-8(11)12-6/h5-6H,1-4H2,(H,9,10)/t5-,6+/m1/s1
InChIKeyCTYQPAODDQRXBA-RITPCOANSA-N
MW169.18 g/mol
LogP-0.03
Rot. Bonds1

About (5R)-5-[(2S)-5-oxooxolan-2-yl]pyrrolidin-2-one

(5R)-5-[(2S)-5-oxooxolan-2-yl]pyrrolidin-2-one (PubChem CID 130967151) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is (5R)-5-[(2S)-5-oxooxolan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[(2S)-5-oxooxolan-2-yl]pyrrolidin-2-one
PubChem CID130967151
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name(5R)-5-[(2S)-5-oxooxolan-2-yl]pyrrolidin-2-one
SMILESO=C1CC[C@H]([C@@H]2CCC(=O)O2)N1
InChIInChI=1S/C8H11NO3/c10-7-3-1-5(9-7)6-2-4-8(11)12-6/h5-6H,1-4H2,(H,9,10)/t5-,6+/m1/s1
InChIKeyCTYQPAODDQRXBA-RITPCOANSA-N
XLogP-0.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(2S)-5-oxooxolan-2-yl]pyrrolidin-2-one?
The IUPAC name of (5R)-5-[(2S)-5-oxooxolan-2-yl]pyrrolidin-2-one (CID 130967151) is (5R)-5-[(2S)-5-oxooxolan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[(2S)-5-oxooxolan-2-yl]pyrrolidin-2-one?
The canonical SMILES for (5R)-5-[(2S)-5-oxooxolan-2-yl]pyrrolidin-2-one is O=C1CC[C@H]([C@@H]2CCC(=O)O2)N1.
What is the InChIKey of (5R)-5-[(2S)-5-oxooxolan-2-yl]pyrrolidin-2-one?
The InChIKey is CTYQPAODDQRXBA-RITPCOANSA-N. The full InChI is InChI=1S/C8H11NO3/c10-7-3-1-5(9-7)6-2-4-8(11)12-6/h5-6H,1-4H2,(H,9,10)/t5-,6+/m1/s1.
What are the key properties of (5R)-5-[(2S)-5-oxooxolan-2-yl]pyrrolidin-2-one?
(5R)-5-[(2S)-5-oxooxolan-2-yl]pyrrolidin-2-one has a molecular weight of 169.18 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(2S)-5-oxooxolan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 130967151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).