ethyl (E)-2-methyl-3-(1,3-oxazolidin-2-yl)prop-2-enoate

C9H15NO3 — CID 87369583

IUPACethyl (E)-2-methyl-3-(1,3-oxazolidin-2-yl)prop-2-enoate
SMILESCCOC(=O)/C(C)=C/C1NCCO1
InChIInChI=1S/C9H15NO3/c1-3-12-9(11)7(2)6-8-10-4-5-13-8/h6,8,10H,3-5H2,1-2H3/b7-6+
InChIKeyZDEFFPNWDJKNJH-VOTSOKGWSA-N
MW185.22 g/mol
LogP0.44
Rot. Bonds3

About ethyl (E)-2-methyl-3-(1,3-oxazolidin-2-yl)prop-2-enoate

ethyl (E)-2-methyl-3-(1,3-oxazolidin-2-yl)prop-2-enoate (PubChem CID 87369583) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl (E)-2-methyl-3-(1,3-oxazolidin-2-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-methyl-3-(1,3-oxazolidin-2-yl)prop-2-enoate
PubChem CID87369583
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl (E)-2-methyl-3-(1,3-oxazolidin-2-yl)prop-2-enoate
SMILESCCOC(=O)/C(C)=C/C1NCCO1
InChIInChI=1S/C9H15NO3/c1-3-12-9(11)7(2)6-8-10-4-5-13-8/h6,8,10H,3-5H2,1-2H3/b7-6+
InChIKeyZDEFFPNWDJKNJH-VOTSOKGWSA-N
XLogP0.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl (E)-2-methyl-3-(1,3-oxazolidin-2-yl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-(2-adamantyl)-2-methylprop-2-enoate
CID 66689875
ethyl (E)-2-methylpent-2-enoate
CID 6436311
ethyl (2R,3S)-2-methylmorpholine-3-carboxylate
CID 90001541
ethyl 2-methyl-3-(2-methylcyclopentyl)prop-2-enoate
CID 175355413
ethyl (E)-2-methyl-3-(3-methylcyclopentyl)prop-2-enoate
CID 168818421
ethyl 3-amino-2-methylprop-2-enoate
CID 54558291
ethyl (E)-4-bromo-2-methylbut-2-enoate;methane
CID 158230787
ethyl 2-methyl-3-(thiolan-3-yl)prop-2-enoate
CID 107133134
diethyl (2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedioate
CID 14755504
ethyl 2-methyl-3-silylprop-2-enoate
CID 173118701
diethyl 2-methylpent-2-enedioate
CID 592902
ethyl 2-(oxetan-2-ylmethylidene)butanoate
CID 66839897

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-methyl-3-(1,3-oxazolidin-2-yl)prop-2-enoate?
The IUPAC name of ethyl (E)-2-methyl-3-(1,3-oxazolidin-2-yl)prop-2-enoate (CID 87369583) is ethyl (E)-2-methyl-3-(1,3-oxazolidin-2-yl)prop-2-enoate.
What is the SMILES notation for ethyl (E)-2-methyl-3-(1,3-oxazolidin-2-yl)prop-2-enoate?
The canonical SMILES for ethyl (E)-2-methyl-3-(1,3-oxazolidin-2-yl)prop-2-enoate is CCOC(=O)/C(C)=C/C1NCCO1.
What is the InChIKey of ethyl (E)-2-methyl-3-(1,3-oxazolidin-2-yl)prop-2-enoate?
The InChIKey is ZDEFFPNWDJKNJH-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-12-9(11)7(2)6-8-10-4-5-13-8/h6,8,10H,3-5H2,1-2H3/b7-6+.
What are the key properties of ethyl (E)-2-methyl-3-(1,3-oxazolidin-2-yl)prop-2-enoate?
ethyl (E)-2-methyl-3-(1,3-oxazolidin-2-yl)prop-2-enoate has a molecular weight of 185.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-methyl-3-(1,3-oxazolidin-2-yl)prop-2-enoate is sourced from PubChem (CID 87369583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).