(5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one

C8H12N2O2 — CID 7061092

IUPAC(5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one
SMILESO=C1CC[C@@H]([C@@H]2CCC(=O)N2)N1
InChIInChI=1S/C8H12N2O2/c11-7-3-1-5(9-7)6-2-4-8(12)10-6/h5-6H,1-4H2,(H,9,11)(H,10,12)/t5-,6-/m0/s1
InChIKeyIQUVNPFDKLVJAN-WDSKDSINSA-N
MW168.20 g/mol
LogP-0.46
Rot. Bonds1

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

(5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one (PubChem CID 7061092) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one
PubChem CID7061092
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one
SMILESO=C1CC[C@@H]([C@@H]2CCC(=O)N2)N1
InChIInChI=1S/C8H12N2O2/c11-7-3-1-5(9-7)6-2-4-8(12)10-6/h5-6H,1-4H2,(H,9,11)(H,10,12)/t5-,6-/m0/s1
InChIKeyIQUVNPFDKLVJAN-WDSKDSINSA-N
XLogP-0.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one (CID 7061092) is (5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one is O=C1CC[C@@H]([C@@H]2CCC(=O)N2)N1.
What is the InChIKey of (5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one?
The InChIKey is IQUVNPFDKLVJAN-WDSKDSINSA-N. The full InChI is InChI=1S/C8H12N2O2/c11-7-3-1-5(9-7)6-2-4-8(12)10-6/h5-6H,1-4H2,(H,9,11)(H,10,12)/t5-,6-/m0/s1.
What are the key properties of (5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one?
(5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one has a molecular weight of 168.20 g/mol, XLogP of -0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2S)-5-oxopyrrolidin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 7061092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).