lithium (4S)-4-tert-butyl-1,3-oxazolidin-3-id-2-one

C7H12LiNO2 — CID 11804924

IUPAClithium (4S)-4-tert-butyl-1,3-oxazolidin-3-id-2-one
SMILESCC(C)(C)[C@H]1COC(=O)[N-]1.[Li+]
InChIInChI=1S/C7H13NO2.Li/c1-7(2,3)5-4-10-6(9)8-5;/h5H,4H2,1-3H3,(H,8,9);/q;+1/p-1/t5-;/m1./s1
InChIKeyKEIWCMFLUHXLPR-NUBCRITNSA-M
MW149.12 g/mol
LogP-1.07
Rot. Bonds

About lithium (4S)-4-tert-butyl-1,3-oxazolidin-3-id-2-one

lithium (4S)-4-tert-butyl-1,3-oxazolidin-3-id-2-one (PubChem CID 11804924) has the molecular formula C7H12LiNO2 and a molecular weight of 149.12 g/mol. Its IUPAC name is lithium (4S)-4-tert-butyl-1,3-oxazolidin-3-id-2-one.

Molecular Properties

Compound Namelithium (4S)-4-tert-butyl-1,3-oxazolidin-3-id-2-one
PubChem CID11804924
Molecular FormulaC7H12LiNO2
Molecular Weight149.12 g/mol
Exact Mass149.10
IUPAC Namelithium (4S)-4-tert-butyl-1,3-oxazolidin-3-id-2-one
SMILESCC(C)(C)[C@H]1COC(=O)[N-]1.[Li+]
InChIInChI=1S/C7H13NO2.Li/c1-7(2,3)5-4-10-6(9)8-5;/h5H,4H2,1-3H3,(H,8,9);/q;+1/p-1/t5-;/m1./s1
InChIKeyKEIWCMFLUHXLPR-NUBCRITNSA-M
XLogP-1.07
TPSA40.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.12
LogP ≤ 5-1.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of lithium (4S)-4-tert-butyl-1,3-oxazolidin-3-id-2-one?
The IUPAC name of lithium (4S)-4-tert-butyl-1,3-oxazolidin-3-id-2-one (CID 11804924) is lithium (4S)-4-tert-butyl-1,3-oxazolidin-3-id-2-one.
What is the SMILES notation for lithium (4S)-4-tert-butyl-1,3-oxazolidin-3-id-2-one?
The canonical SMILES for lithium (4S)-4-tert-butyl-1,3-oxazolidin-3-id-2-one is CC(C)(C)[C@H]1COC(=O)[N-]1.[Li+].
What is the InChIKey of lithium (4S)-4-tert-butyl-1,3-oxazolidin-3-id-2-one?
The InChIKey is KEIWCMFLUHXLPR-NUBCRITNSA-M. The full InChI is InChI=1S/C7H13NO2.Li/c1-7(2,3)5-4-10-6(9)8-5;/h5H,4H2,1-3H3,(H,8,9);/q;+1/p-1/t5-;/m1./s1.
What are the key properties of lithium (4S)-4-tert-butyl-1,3-oxazolidin-3-id-2-one?
lithium (4S)-4-tert-butyl-1,3-oxazolidin-3-id-2-one has a molecular weight of 149.12 g/mol, XLogP of -1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (4S)-4-tert-butyl-1,3-oxazolidin-3-id-2-one is sourced from PubChem (CID 11804924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).