(4S)-5-ethenyl-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one

C9H15NO2 — CID 45092351

IUPAC(4S)-5-ethenyl-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CC1(C)OC(=O)N[C@H]1C(C)C
InChIInChI=1S/C9H15NO2/c1-5-9(4)7(6(2)3)10-8(11)12-9/h5-7H,1H2,2-4H3,(H,10,11)/t7-,9?/m0/s1
InChIKeyWVJXAJFBBIJWPT-JAVCKPHESA-N
MW169.22 g/mol
LogP1.70
Rot. Bonds2

About (4S)-5-ethenyl-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-5-ethenyl-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 45092351) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (4S)-5-ethenyl-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-5-ethenyl-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID45092351
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(4S)-5-ethenyl-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESC=CC1(C)OC(=O)N[C@H]1C(C)C
InChIInChI=1S/C9H15NO2/c1-5-9(4)7(6(2)3)10-8(11)12-9/h5-7H,1H2,2-4H3,(H,10,11)/t7-,9?/m0/s1
InChIKeyWVJXAJFBBIJWPT-JAVCKPHESA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-5-ethenyl-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-5-ethenyl-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 45092351) is (4S)-5-ethenyl-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-5-ethenyl-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-5-ethenyl-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one is C=CC1(C)OC(=O)N[C@H]1C(C)C.
What is the InChIKey of (4S)-5-ethenyl-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is WVJXAJFBBIJWPT-JAVCKPHESA-N. The full InChI is InChI=1S/C9H15NO2/c1-5-9(4)7(6(2)3)10-8(11)12-9/h5-7H,1H2,2-4H3,(H,10,11)/t7-,9?/m0/s1.
What are the key properties of (4S)-5-ethenyl-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-5-ethenyl-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-ethenyl-5-methyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 45092351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).