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

C8H13NO3 — CID 175273423

IUPACethyl 2-(1,3-oxazolidin-3-yl)prop-2-enoate
SMILESC=C(C(=O)OCC)N1CCOC1
InChIInChI=1S/C8H13NO3/c1-3-12-8(10)7(2)9-4-5-11-6-9/h2-6H2,1H3
InChIKeyFIKZMYSXZYRFEX-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.35
Rot. Bonds3

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

ethyl 2-(1,3-oxazolidin-3-yl)prop-2-enoate (PubChem CID 175273423) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is ethyl 2-(1,3-oxazolidin-3-yl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-(1,3-oxazolidin-3-yl)prop-2-enoate
PubChem CID175273423
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Nameethyl 2-(1,3-oxazolidin-3-yl)prop-2-enoate
SMILESC=C(C(=O)OCC)N1CCOC1
InChIInChI=1S/C8H13NO3/c1-3-12-8(10)7(2)9-4-5-11-6-9/h2-6H2,1H3
InChIKeyFIKZMYSXZYRFEX-UHFFFAOYSA-N
XLogP0.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,3-oxazolidin-3-yl)prop-2-enoate?
The IUPAC name of ethyl 2-(1,3-oxazolidin-3-yl)prop-2-enoate (CID 175273423) is ethyl 2-(1,3-oxazolidin-3-yl)prop-2-enoate.
What is the SMILES notation for ethyl 2-(1,3-oxazolidin-3-yl)prop-2-enoate?
The canonical SMILES for ethyl 2-(1,3-oxazolidin-3-yl)prop-2-enoate is C=C(C(=O)OCC)N1CCOC1.
What is the InChIKey of ethyl 2-(1,3-oxazolidin-3-yl)prop-2-enoate?
The InChIKey is FIKZMYSXZYRFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-3-12-8(10)7(2)9-4-5-11-6-9/h2-6H2,1H3.
What are the key properties of ethyl 2-(1,3-oxazolidin-3-yl)prop-2-enoate?
ethyl 2-(1,3-oxazolidin-3-yl)prop-2-enoate has a molecular weight of 171.20 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,3-oxazolidin-3-yl)prop-2-enoate is sourced from PubChem (CID 175273423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).