(5S)-5-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one

C9H15NO2 — CID 18634373

IUPAC(5S)-5-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1OC(=O)NC1CC(C)C
InChIInChI=1S/C9H15NO2/c1-4-8-7(5-6(2)3)10-9(11)12-8/h4,6-8H,1,5H2,2-3H3,(H,10,11)/t7?,8-/m0/s1
InChIKeyHWPXKZRGHXLELE-MQWKRIRWSA-N
MW169.22 g/mol
LogP1.70
Rot. Bonds3

About (5S)-5-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one

(5S)-5-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one (PubChem CID 18634373) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (5S)-5-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one
PubChem CID18634373
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(5S)-5-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1OC(=O)NC1CC(C)C
InChIInChI=1S/C9H15NO2/c1-4-8-7(5-6(2)3)10-9(11)12-8/h4,6-8H,1,5H2,2-3H3,(H,10,11)/t7?,8-/m0/s1
InChIKeyHWPXKZRGHXLELE-MQWKRIRWSA-N
XLogP1.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

(4S,5S)-5-ethyl-4-prop-2-enyl-1,3-oxazolidin-2-one
CID 11480568
(4R)-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 11550047
(4R,5R)-4-tert-butyl-5-ethenyl-1,3-oxazolidin-2-one
CID 102338359
(4R,5R)-5-ethenyl-4-methyl-1,3-oxazolidin-2-one
CID 134950685
(4R,5R)-4-cyclohexyl-5-ethenyl-1,3-oxazolidin-2-one
CID 134966187
(4R,5R)-5-ethenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 176427136
tert-butyl N-[(1S)-1-[(2S,3R)-3-ethenyloxiran-2-yl]-2-methylpropyl]carbamate
CID 10562096
tert-butyl N-[(1S)-1-[(2R,3S)-3-ethenyloxiran-2-yl]-2-methylpropyl]carbamate
CID 10705281
4(S)-isobutyl-5(S)-vinyl-2-oxazolidinone
CID 10725813
5-Ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 13875359
5-But-3-enyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 13891051
(4S,5S)-5-but-3-enyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 13891052

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one (CID 18634373) is (5S)-5-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one is C=C[C@@H]1OC(=O)NC1CC(C)C.
What is the InChIKey of (5S)-5-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is HWPXKZRGHXLELE-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-8-7(5-6(2)3)10-9(11)12-8/h4,6-8H,1,5H2,2-3H3,(H,10,11)/t7?,8-/m0/s1.
What are the key properties of (5S)-5-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
(5S)-5-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 18634373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).