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

C9H15NO2 — CID 12066134

IUPAC(4S)-3-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESC=CN1C(=O)OC[C@@H]1CC(C)C
InChIInChI=1S/C9H15NO2/c1-4-10-8(5-7(2)3)6-12-9(10)11/h4,7-8H,1,5-6H2,2-3H3/t8-/m0/s1
InChIKeyDOMGGQLDAQEDES-QMMMGPOBSA-N
MW169.22 g/mol
LogP2.00
Rot. Bonds3

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

(4S)-3-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one (PubChem CID 12066134) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (4S)-3-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one
PubChem CID12066134
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(4S)-3-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESC=CN1C(=O)OC[C@@H]1CC(C)C
InChIInChI=1S/C9H15NO2/c1-4-10-8(5-7(2)3)6-12-9(10)11/h4,7-8H,1,5-6H2,2-3H3/t8-/m0/s1
InChIKeyDOMGGQLDAQEDES-QMMMGPOBSA-N
XLogP2.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one (CID 12066134) is (4S)-3-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one is C=CN1C(=O)OC[C@@H]1CC(C)C.
What is the InChIKey of (4S)-3-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is DOMGGQLDAQEDES-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-10-8(5-7(2)3)6-12-9(10)11/h4,7-8H,1,5-6H2,2-3H3/t8-/m0/s1.
What are the key properties of (4S)-3-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
(4S)-3-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-ethenyl-4-(2-methylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 12066134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).