(4S)-4-tert-butyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one

C11H17NO3 — CID 10443137

IUPAC(4S)-4-tert-butyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one
SMILESC=C(C)C(=O)N1C(=O)OC[C@@H]1C(C)(C)C
InChIInChI=1S/C11H17NO3/c1-7(2)9(13)12-8(11(3,4)5)6-15-10(12)14/h8H,1,6H2,2-5H3/t8-/m1/s1
InChIKeyZEIOTNOVXTYRNO-MRVPVSSYSA-N
MW211.26 g/mol
LogP1.96
Rot. Bonds1

About (4S)-4-tert-butyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one

(4S)-4-tert-butyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one (PubChem CID 10443137) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (4S)-4-tert-butyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-tert-butyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one
PubChem CID10443137
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(4S)-4-tert-butyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one
SMILESC=C(C)C(=O)N1C(=O)OC[C@@H]1C(C)(C)C
InChIInChI=1S/C11H17NO3/c1-7(2)9(13)12-8(11(3,4)5)6-15-10(12)14/h8H,1,6H2,2-5H3/t8-/m1/s1
InChIKeyZEIOTNOVXTYRNO-MRVPVSSYSA-N
XLogP1.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(4S)-3-(2-methylprop-2-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 10442689
(4S)-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one
CID 10954182
Methacryloyloxazolidinone
CID 10997263
(4R)-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one
CID 11412761
(S)-4-isopropyl-3-((E)-2-methyl-but-2-enoyl)-oxazolidin-2-one
CID 11735975
4-Propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one
CID 13296274
(4S)-4-methyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one
CID 10464716
(4S)-3-(3,3-dideuterio-2-methylprop-2-enoyl)-4-propan-2-yl-1,3-oxazolidin-2-one
CID 14002167
(4S)-3-[(Z)-2-methylbut-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15935692
(4S)-5,5-Dimethyl-4-(1-methylethyl)-3-(2-methyl-1-oxo-2-propen-1-yl)-2-oxazolidinone
CID 16084104
(4S)-3-Acryloyl-4-tert-butyl-1,3-oxazolidin-2-one
CID 71366501
3-(2-Methylbuta-2,3-dienoyl)-1,3-oxazolidin-2-one
CID 164673171

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-tert-butyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one (CID 10443137) is (4S)-4-tert-butyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-tert-butyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-tert-butyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one is C=C(C)C(=O)N1C(=O)OC[C@@H]1C(C)(C)C.
What is the InChIKey of (4S)-4-tert-butyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one?
The InChIKey is ZEIOTNOVXTYRNO-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7(2)9(13)12-8(11(3,4)5)6-15-10(12)14/h8H,1,6H2,2-5H3/t8-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one?
(4S)-4-tert-butyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one has a molecular weight of 211.26 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10443137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).