lithium (4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-one

C6H10LiNO2 — CID 10261139

IUPAClithium (4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-one
SMILESCC(C)[C@H]1COC(=O)[N-]1.[Li+]
InChIInChI=1S/C6H11NO2.Li/c1-4(2)5-3-9-6(8)7-5;/h4-5H,3H2,1-2H3,(H,7,8);/q;+1/p-1/t5-;/m1./s1
InChIKeyUMVXXAHAUGRFCT-NUBCRITNSA-M
MW135.09 g/mol
LogP-1.46
Rot. Bonds1

About lithium (4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-one

lithium (4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-one (PubChem CID 10261139) has the molecular formula C6H10LiNO2 and a molecular weight of 135.09 g/mol. Its IUPAC name is lithium (4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-one.

Molecular Properties

Compound Namelithium (4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-one
PubChem CID10261139
Molecular FormulaC6H10LiNO2
Molecular Weight135.09 g/mol
Exact Mass135.09
IUPAC Namelithium (4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-one
SMILESCC(C)[C@H]1COC(=O)[N-]1.[Li+]
InChIInChI=1S/C6H11NO2.Li/c1-4(2)5-3-9-6(8)7-5;/h4-5H,3H2,1-2H3,(H,7,8);/q;+1/p-1/t5-;/m1./s1
InChIKeyUMVXXAHAUGRFCT-NUBCRITNSA-M
XLogP-1.46
TPSA40.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.09
LogP ≤ 5-1.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of lithium (4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-one?
The IUPAC name of lithium (4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-one (CID 10261139) is lithium (4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-one.
What is the SMILES notation for lithium (4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-one?
The canonical SMILES for lithium (4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-one is CC(C)[C@H]1COC(=O)[N-]1.[Li+].
What is the InChIKey of lithium (4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-one?
The InChIKey is UMVXXAHAUGRFCT-NUBCRITNSA-M. The full InChI is InChI=1S/C6H11NO2.Li/c1-4(2)5-3-9-6(8)7-5;/h4-5H,3H2,1-2H3,(H,7,8);/q;+1/p-1/t5-;/m1./s1.
What are the key properties of lithium (4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-one?
lithium (4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-one has a molecular weight of 135.09 g/mol, XLogP of -1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (4S)-4-propan-2-yl-1,3-oxazolidin-3-id-2-one is sourced from PubChem (CID 10261139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).