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

C11H20N2O2 — CID 70970968

IUPAC4-propan-2-yl-3-[[(2S)-pyrrolidin-2-yl]methyl]-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1C[C@@H]1CCCN1
InChIInChI=1S/C11H20N2O2/c1-8(2)10-7-15-11(14)13(10)6-9-4-3-5-12-9/h8-10,12H,3-7H2,1-2H3/t9-,10?/m0/s1
InChIKeyCRHVTAITURWCTK-RGURZIINSA-N
MW212.29 g/mol
LogP1.22
Rot. Bonds3

About 4-propan-2-yl-3-[[(2S)-pyrrolidin-2-yl]methyl]-1,3-oxazolidin-2-one

4-propan-2-yl-3-[[(2S)-pyrrolidin-2-yl]methyl]-1,3-oxazolidin-2-one (PubChem CID 70970968) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-propan-2-yl-3-[[(2S)-pyrrolidin-2-yl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-propan-2-yl-3-[[(2S)-pyrrolidin-2-yl]methyl]-1,3-oxazolidin-2-one
PubChem CID70970968
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-propan-2-yl-3-[[(2S)-pyrrolidin-2-yl]methyl]-1,3-oxazolidin-2-one
SMILESCC(C)C1COC(=O)N1C[C@@H]1CCCN1
InChIInChI=1S/C11H20N2O2/c1-8(2)10-7-15-11(14)13(10)6-9-4-3-5-12-9/h8-10,12H,3-7H2,1-2H3/t9-,10?/m0/s1
InChIKeyCRHVTAITURWCTK-RGURZIINSA-N
XLogP1.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-3-[[(2S)-pyrrolidin-2-yl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-propan-2-yl-3-[[(2S)-pyrrolidin-2-yl]methyl]-1,3-oxazolidin-2-one (CID 70970968) is 4-propan-2-yl-3-[[(2S)-pyrrolidin-2-yl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-propan-2-yl-3-[[(2S)-pyrrolidin-2-yl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-propan-2-yl-3-[[(2S)-pyrrolidin-2-yl]methyl]-1,3-oxazolidin-2-one is CC(C)C1COC(=O)N1C[C@@H]1CCCN1.
What is the InChIKey of 4-propan-2-yl-3-[[(2S)-pyrrolidin-2-yl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is CRHVTAITURWCTK-RGURZIINSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(2)10-7-15-11(14)13(10)6-9-4-3-5-12-9/h8-10,12H,3-7H2,1-2H3/t9-,10?/m0/s1.
What are the key properties of 4-propan-2-yl-3-[[(2S)-pyrrolidin-2-yl]methyl]-1,3-oxazolidin-2-one?
4-propan-2-yl-3-[[(2S)-pyrrolidin-2-yl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 212.29 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-3-[[(2S)-pyrrolidin-2-yl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 70970968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).