[2-methyl-2-(1,3-oxazolidin-2-yl)propyl] 2-methylprop-2-enoate

C11H19NO3 — CID 57047759

IUPAC[2-methyl-2-(1,3-oxazolidin-2-yl)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(C)C1NCCO1
InChIInChI=1S/C11H19NO3/c1-8(2)9(13)15-7-11(3,4)10-12-5-6-14-10/h10,12H,1,5-7H2,2-4H3
InChIKeyPMHJNNFHMZTCSF-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.08
Rot. Bonds4

About [2-methyl-2-(1,3-oxazolidin-2-yl)propyl] 2-methylprop-2-enoate

[2-methyl-2-(1,3-oxazolidin-2-yl)propyl] 2-methylprop-2-enoate (PubChem CID 57047759) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is [2-methyl-2-(1,3-oxazolidin-2-yl)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-methyl-2-(1,3-oxazolidin-2-yl)propyl] 2-methylprop-2-enoate
PubChem CID57047759
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name[2-methyl-2-(1,3-oxazolidin-2-yl)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)(C)C1NCCO1
InChIInChI=1S/C11H19NO3/c1-8(2)9(13)15-7-11(3,4)10-12-5-6-14-10/h10,12H,1,5-7H2,2-4H3
InChIKeyPMHJNNFHMZTCSF-UHFFFAOYSA-N
XLogP1.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
2,2,2-trihydroxyethyl 2-methylprop-2-enoate
CID 87642108
[2,2-bis(hydroxymethyl)-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate
CID 89388463
oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
CID 174970981
2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
2-(1,4-dioxan-2-yloxy)ethyl 2-methylprop-2-enoate
CID 156693820
[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2-methylprop-2-enoate;oxolane
CID 90200711
(2,2-dicyclopentyl-2-hydroxyethyl) 2-methylprop-2-enoate
CID 57100902
4-O-[3-(2-methylprop-2-enoyloxy)-2,2-bis(2-methylprop-2-enoyloxymethyl)propyl] 1-O-(oxan-2-ylmethyl) butanedioate
CID 59248519
methyl 2-methylprop-2-enoate;oxiran-2-ol
CID 174515901

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(1,3-oxazolidin-2-yl)propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-methyl-2-(1,3-oxazolidin-2-yl)propyl] 2-methylprop-2-enoate (CID 57047759) is [2-methyl-2-(1,3-oxazolidin-2-yl)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-methyl-2-(1,3-oxazolidin-2-yl)propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-methyl-2-(1,3-oxazolidin-2-yl)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)(C)C1NCCO1.
What is the InChIKey of [2-methyl-2-(1,3-oxazolidin-2-yl)propyl] 2-methylprop-2-enoate?
The InChIKey is PMHJNNFHMZTCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)9(13)15-7-11(3,4)10-12-5-6-14-10/h10,12H,1,5-7H2,2-4H3.
What are the key properties of [2-methyl-2-(1,3-oxazolidin-2-yl)propyl] 2-methylprop-2-enoate?
[2-methyl-2-(1,3-oxazolidin-2-yl)propyl] 2-methylprop-2-enoate has a molecular weight of 213.28 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(1,3-oxazolidin-2-yl)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 57047759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).