3-[(3S)-pyrrolidin-3-yl]-1,3-oxazolidin-2-one

C7H12N2O2 — CID 94401492

IUPAC3-[(3S)-pyrrolidin-3-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1[C@H]1CCNC1
InChIInChI=1S/C7H12N2O2/c10-7-9(3-4-11-7)6-1-2-8-5-6/h6,8H,1-5H2/t6-/m0/s1
InChIKeyPWHBNQLTXRSWIK-LURJTMIESA-N
MW156.18 g/mol
LogP-0.20
Rot. Bonds1

About 3-[(3S)-pyrrolidin-3-yl]-1,3-oxazolidin-2-one

3-[(3S)-pyrrolidin-3-yl]-1,3-oxazolidin-2-one (PubChem CID 94401492) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 3-[(3S)-pyrrolidin-3-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(3S)-pyrrolidin-3-yl]-1,3-oxazolidin-2-one
PubChem CID94401492
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name3-[(3S)-pyrrolidin-3-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1[C@H]1CCNC1
InChIInChI=1S/C7H12N2O2/c10-7-9(3-4-11-7)6-1-2-8-5-6/h6,8H,1-5H2/t6-/m0/s1
InChIKeyPWHBNQLTXRSWIK-LURJTMIESA-N
XLogP-0.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(3S)-pyrrolidin-3-yl]-1,3-oxazolidin-2-one (CID 94401492) is 3-[(3S)-pyrrolidin-3-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(3S)-pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(3S)-pyrrolidin-3-yl]-1,3-oxazolidin-2-one is O=C1OCCN1[C@H]1CCNC1.
What is the InChIKey of 3-[(3S)-pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
The InChIKey is PWHBNQLTXRSWIK-LURJTMIESA-N. The full InChI is InChI=1S/C7H12N2O2/c10-7-9(3-4-11-7)6-1-2-8-5-6/h6,8H,1-5H2/t6-/m0/s1.
What are the key properties of 3-[(3S)-pyrrolidin-3-yl]-1,3-oxazolidin-2-one?
3-[(3S)-pyrrolidin-3-yl]-1,3-oxazolidin-2-one has a molecular weight of 156.18 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-pyrrolidin-3-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 94401492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).